60386165
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4.5981
2.866
6.3301
4.5981
6.3301
7.1962
6.3301
5.4641
8.0622
5.4641
8.0622
5.4641
8.9282
4.5981
5.4641
4.5981
4.5981
4.5981
8.9282
3.732
9.7942
5.4641
3.732
3.732
5.4641
4.5981
9.7942
3.732
2
7.1962
3.732
6.7976
7.5947
6.9407
6.5422
6.001
7.5252
4.5981
8.9282
6.001
4.0611
8.9282
4.5981
10.3312
3.1951
6.001
3.1951
10.3312
3.1951
2.31
1.4631
1.69
7.5062
7.7331
6.8862
3.422
3.1951
4.042
1.75
-3.25
-3.25
-4.25
1.75
1.25
2.75
3.25
1.75
1.25
2.75
4.25
1.25
2.75
0.25
-1.25
-0.25
4.75
3.25
3.25
1.75
-1.75
-1.75
-2.75
-2.75
-3.25
2.75
4.25
-2.75
-2.75
-4.75
0.7751
0.7751
2.6423
3.3326
4.56
3.06
2.13
0.63
-0.06
0.06
3.87
5.37
1.44
2.94
-1.44
-1.44
3.06
4.56
-2.2131
-2.44
-3.2869
-3.2869
-2.44
-2.2131
-4.2131
-5.06
-5.2869
8
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0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
520
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07A38000000000000000000000000000000000000003060C0000000000000015000001E00000000000C04C198063206830004008802215210008208002020000888000E8CC80D272284B11B84302A65C6158AA98790E01C0E20000108000040004000021000008000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N,N-bis(phenylmethyl)-3-(3,4,5-trimethoxyphenyl)-2-propenamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N,N-bis(phenylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)acrylamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C26H27NO4/c1-29-23-16-22(17-24(30-2)26(23)31-3)14-15-25(28)27(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3/b15-14+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
OATVWNDEGYGLIL-CCEZHUSRSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
417.194008
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C26H27NO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
417.49688
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
48
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
417.194008
31
0
0
0
1
1
0
0
1
1