70537322
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8
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1
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22
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26
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14
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15
7
31
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3
1
1
5
255
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4.5981
6.3301
2.866
4.5981
2.866
2.866
4.5981
2
3.732
4.5981
5.4641
3.732
5.4641
3.732
4.5981
3.732
3.732
5.4641
7.1962
2
3.403
2.3291
1.69
3.422
4.269
4.042
1.4631
2.31
6.001
3.1951
5.135
3.1951
5.7741
6.001
5.1541
6.8862
7.7331
7.5062
1.69
1.4631
2.31
3.5
2.5
2.5
-2.5
-2.5
-3.5
0.5
-4
-4
2.5
2
2
1
1
-0.5
-2
-1
4
2
2
-3.19
-2.19
-3.4631
-4.5369
-4.31
-3.4631
-4.31
-4.5369
0.69
0.69
-0.81
-0.69
3.4631
4.31
4.5369
1.4631
1.69
2.5369
2.5369
1.69
1.4631
8
8
8
8
8
8
1
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10
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17
0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
316
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E0723800000000000000000000000000000000000000300000000000000000010000001E00100000000C2CC19806320682C004008802215210008208002020000888800E88C80D272284311A80302225D6158AA98780E01C0E20000108000040004000021000008000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-isopropyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-propan-2-yl-3-(3,4,5-trimethoxyphenyl)-2-propenamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-propan-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-propan-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-isopropyl-3-(3,4,5-trimethoxyphenyl)acrylamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C15H21NO4/c1-10(2)16-14(17)7-6-11-8-12(18-3)15(20-5)13(9-11)19-4/h6-10H,1-5H3,(H,16,17)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
ARWDAKKCHINSOW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
279.147058
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C15H21NO4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
279.33154
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC(C)NC(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC(C)NC(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
56.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
279.147058
20
0
0
0
1
0
1
0
1
2