60592208
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255
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4.5981
2.866
4.5981
6.3301
6.3301
7.1962
7.1962
8.0622
5.4641
8.9282
5.4641
7.1962
9.7942
5.4641
4.5981
4.5981
3.732
5.4641
3.732
4.5981
5.4641
2
5.4641
6.8671
6.7976
7.5947
7.4082
7.8067
8.4607
7.6636
5.7741
4.9272
5.1541
8.5297
9.3267
7.8162
7.1962
6.5762
10.1042
10.3312
9.4842
6.001
4.0611
3.1951
6.001
6.001
2.31
1.4631
1.69
5.1541
6.001
5.7741
2
-3
-4
2
3
1.5
3.5
2
3.5
1.5
1.5
4.5
2
0.5
0
-1
-1.5
-1.5
-2.5
-3
-2.5
-2.5
-4.5
2.69
1.025
1.025
2.9174
3.6077
2.475
2.475
4.0369
3.81
2.9631
1.025
1.025
4.5
5.12
4.5
1.4631
2.31
2.5369
0.19
0.31
-1.19
-1.19
-2.81
-1.9631
-2.19
-3.0369
-5.0369
-4.81
-3.9631
3
8
8
8
8
8
8
5
16
16
17
18
19
20
9
17
18
19
21
20
21
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
370
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
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07A3000000000000000000000000000000000000000300000000000000000010000001E00000000000C2CC198063206830004008802215210008208002020000888000E88C80D262284B11A84302224C6118AA98780C0100E20000100000040004000020000008000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-butyl-3-(3,4-dimethoxyphenyl)-N-sec-butyl-prop-2-enamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-butan-2-yl-N-butyl-3-(3,4-dimethoxyphenyl)-2-propenamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-butan-2-yl-N-butyl-3-(3,4-dimethoxyphenyl)prop-2-enamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-butan-2-yl-N-butyl-3-(3,4-dimethoxyphenyl)prop-2-enamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(E)-N-butyl-3-(3,4-dimethoxyphenyl)-N-sec-butyl-acrylamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H29NO3/c1-6-8-13-20(15(3)7-2)19(21)12-10-16-9-11-17(22-4)18(14-16)23-5/h9-12,14-15H,6-8,13H2,1-5H3/b12-10+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
ZLLVGJXIDGDCMY-ZRDIBKRKSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
319.214744
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H29NO3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
319.43846
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCCCN(C(C)CC)C(=O)C=CC1=CC(=C(C=C1)OC)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCCCN(C(C)CC)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
319.214744
23
1
0
1
1
1
0
0
1
1