1802442
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6.134
8.8253
6.134
6.5
7.866
5
5.5
4
3.5
6.134
3.5
7
7
7.866
7
6.134
7.866
2.5
7.866
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2.5
2
5.268
7
8.732
9.232
3.5
10.2266
10.4345
9.5685
5.5826
4.8923
4.9174
5.6077
6.81
3.81
5.597
8.403
8.403
2.19
8.403
2.19
1.38
4.958
4.731
5.578
6.38
7
7.62
9.269
4.0369
3.19
2.9631
10.6414
11.0009
9.5036
4.299
0.3349
2.6145
-0.6651
1.701
-0.6651
2.567
1.701
2.567
3.433
-3.6651
1.701
-2.1651
-4.1651
0.3349
0.8349
-2.6651
-2.6651
3.433
-3.6651
-1.1651
1.701
2.567
-4.1651
-5.1651
0.8349
1.701
5.1651
1.8055
2.7836
3.2836
2.779
3.1776
1.4889
1.0904
2.2379
1.164
-2.3551
-2.3551
-3.9751
3.97
-0.9751
1.164
2.567
-3.6281
-4.4751
-4.702
-5.1651
-5.7851
-5.1651
0.5249
5.4751
5.702
4.8551
1.3447
3.0358
3.9002
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
635
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C7B8C8E08EC0000200001800008000040000300000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]-3,4-dimethyl-benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(2-furanyl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethyl-benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]-3,4-dimethyl-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C25H26N2O4/c1-17-10-11-20(15-18(17)2)24(28)27-22(16-21-8-6-14-31-21)25(29)26-13-12-19-7-4-5-9-23(19)30-3/h4-11,14-16H,12-13H2,1-3H3,(H,26,29)(H,27,28)/b22-16+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
DHNBIESSXINVPW-CJLVFECKSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
418.189257
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C25H26N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
418.48494
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC3=CC=CC=C3OC)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCC3=CC=CC=C3OC)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
80.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
418.189257
31
0
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