4129389
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8
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6
1
1
1
1
1
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17
7
7
10
22
4
5
6
18
5
7
19
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21
8
9
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18
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1
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3
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7
19
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1
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5
255
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5.0981
4.232
2.866
3.366
2.366
2.866
4.232
2
3.732
5.0981
5.0981
5.9641
2
3.732
2.866
5.9641
6.8301
3.4649
3.2056
2.2584
1.7834
3.6951
1.4631
4.269
5.3101
5.7087
4.886
4.4875
5.9641
1.4631
4.269
2.866
6.5201
6.5841
5.9641
5.3441
7.3671
7.1401
-0.317
1.183
-1.183
-0.317
-0.317
-2.183
0.183
-2.683
-2.683
1.683
2.683
3.183
-3.683
-3.683
-4.183
4.183
2.683
-1.3435
0.2819
0.2936
-0.529
1.493
-2.373
-2.373
1.1004
1.7907
3.2656
2.5753
2.563
-3.993
-3.993
-4.803
2.1461
4.183
4.803
4.183
2.373
3.22
3
3
8
8
8
8
8
8
3
4
6
6
8
9
13
14
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15
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
256
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E0722000000000000000000000001800000000000000300000000000000000010000001E00100000000D00C19804320082C000008802215210000200002000000888810800880820328091108420002096008888071888C08E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-isopentyl-2-phenyl-cyclopropanecarboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(3-methylbutyl)-2-phenyl-1-cyclopropanecarboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(3-methylbutyl)-2-phenylcyclopropane-1-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(3-methylbutyl)-2-phenyl-cyclopropane-1-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-isoamyl-2-phenyl-cyclopropanecarboxamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C15H21NO/c1-11(2)8-9-16-15(17)14-10-13(14)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,16,17)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
CZMBXVPNKXPRBL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
231.162314
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C15H21NO
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
231.33334
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(C)CCNC(=O)C1CC1C2=CC=CC=C2
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(C)CCNC(=O)C1CC1C2=CC=CC=C2
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
29.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
231.162314
17
2
0
2
0
0
0
0
1
2