60592246
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8
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1
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8
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29
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2
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255
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4.5981
2.866
4.5981
6.3301
6.3301
7.1962
7.1962
5.4641
8.0622
5.4641
4.5981
4.5981
7.1962
3.732
3.732
5.4641
4.5981
5.4641
8.0622
2
5.4641
6.1181
5.7196
6.7976
7.5947
8.3722
8.5991
7.7522
6.001
4.0611
7.8162
7.1962
6.5762
3.1951
6.001
6.001
8.0622
8.5991
2.31
1.4631
1.69
5.1541
6.001
5.7741
2
-3
-4
2
3
1.5
3.5
1.5
2
0.5
-1
0
4.5
-1.5
-2.5
-1.5
-3
-2.5
3
-2.5
-4.5
3.5826
2.8923
1.025
1.025
1.4631
2.31
2.5369
0.19
0.31
4.5
5.12
4.5
-1.19
-1.19
-2.81
2.38
3.31
-1.9631
-2.19
-3.0369
-5.0369
-4.81
-3.9631
8
8
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
378
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
3
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
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07A3000000000000000000000000000000000000000300000000000000000010000001E00000000000C04C198063206830004008802215210008208002020000888000E88C80D262284311A84302224C6118AA98780C0100E20000100000040004000020000008000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-3-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylallyl)prop-2-enamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-3-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)-2-propenamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-3-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-3-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)prop-2-enamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-3-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylallyl)acrylamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C17H23NO3/c1-6-18(12-13(2)3)17(19)10-8-14-7-9-15(20-4)16(11-14)21-5/h7-11H,2,6,12H2,1,3-5H3/b10-8+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
JSQBMZDTPKTBSD-CSKARUKUSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
289.167794
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C17H23NO3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
289.36942
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCN(CC(=C)C)C(=O)C=CC1=CC(=C(C=C1)OC)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCN(CC(=C)C)C(=O)/C=C/C1=CC(=C(C=C1)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
38.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
289.167794
21
0
0
0
1
1
0
0
1
1