1409477
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8.0622
6.3301
8.0622
5.4641
3.732
4.5981
5.4641
8.9282
8.9282
9.8222
7.1962
7.1962
8.0622
9.8222
10.7282
10.7282
6.3301
9.8106
11.5923
6.3301
4.5981
5.4641
4.5981
6.3301
5.4641
3.732
4.5981
5.4641
4.5981
2.866
3.732
2
2.866
2
4.5981
2.866
9.815
11.2639
10.4305
9.8034
9.1906
11.2802
12.128
11.9044
6.8671
4.8101
5.2087
4.386
3.9875
5.4641
6.5422
6.9407
6.001
4.0611
2.866
4.269
1.4631
2.866
1.4631
4.9081
4.0611
4.2881
2.556
2.3291
3.176
2.5
0.5
-0.5
5
4
-0.5
-2
1
2
2.5347
2
1
0.5
0.4653
0.9792
2.0208
2.5
3.5346
0.4758
3.5
-3.5
2
-2.5
-0.5
4
-4
2.5
-1
3.5
-3.5
-5
-4
-5.5
-5
5.5
3.5
-0.1546
2.3329
3.5418
4.1546
3.5274
-0.0599
0.1638
1.0116
3.81
-4.0826
-3.3923
-1.9174
-2.6077
1.38
-1.0826
-0.3923
-2.31
2.19
-2.88
-5.31
-3.69
-6.12
-5.31
6.0369
5.81
4.9631
4.0369
3.19
2.9631
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
791
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07A38000000000000000000000000000000000000003060C1000000000000815000001E00100000000C04E19806320682C004008802A15210020208002420000888814E88C80F263684B51F873962A4F6119AA987D8E8FC8E20000300000840004000060000108000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-N-(2-phenylethyl)acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-1-benzopyran-3-yl]oxy]-N-(2-phenylethyl)acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxidanylidene-chromen-3-yl]oxy-N-(2-phenylethyl)ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-(3,4-dimethoxyphenyl)-4-keto-6,8-dimethyl-chromen-3-yl]oxy-N-phenethyl-acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C29H29NO6/c1-18-14-19(2)27-22(15-18)26(32)29(28(36-27)21-10-11-23(33-3)24(16-21)34-4)35-17-25(31)30-13-12-20-8-6-5-7-9-20/h5-11,14-16H,12-13,17H2,1-4H3,(H,30,31)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SXWZPLSUHPZNJQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
5.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
487.199488
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C29H29NO6
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
487.54366
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OCC(=O)NCCC4=CC=CC=C4)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OCC(=O)NCCC4=CC=CC=C4)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
83.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
487.199488
36
0
0
0
0
0
0
0
1
2