4479354
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255
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3.732
5.4641
3.732
5.4641
4.5981
4.5981
3.732
3.732
2.866
6.3301
5.4641
2.866
2
4.5981
4.5981
5.4641
3.732
5.4641
6.3301
3.732
4.5981
5.4641
5.135
6.6401
6.8671
6.0201
4.8441
5.4641
6.0841
2.3291
3.1951
2.31
1.4631
1.69
3.1951
3.1951
6.001
6.0201
6.8671
6.6401
3.1951
4.5981
-3.595
0.405
0.405
-2.595
-2.095
-1.095
-0.595
-2.595
-1.095
-2.095
-3.595
-2.095
-0.595
0.905
1.905
2.405
2.405
3.405
1.905
3.405
3.905
-1.975
-0.785
-2.6319
-1.785
-1.5581
-3.595
-4.215
-3.595
-2.405
0.715
-0.0581
-0.285
-1.1319
-3.905
2.095
3.715
1.3681
1.595
2.4419
3.715
4.525
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
355
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00100800000D0C81980032C682C00200880225525000820000252200088801066CC8082632C2959384710864D411C8D987B8C8F08EC0400140001A00008080028000340000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-methyl-benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylbenzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylbenzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-methyl-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-methyl-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H21NO2/c1-11(2)15-10-16(13(4)9-17(15)20)19-18(21)14-8-6-5-7-12(14)3/h5-11,20H,1-4H3,(H,19,21)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
KZKIGUTYPANUBY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
283.157229
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C18H21NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
283.36484
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=CC=C1C(=O)NC2=C(C=C(C(=C2)C(C)C)O)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=CC=C1C(=O)NC2=C(C=C(C(=C2)C(C)C)O)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
49.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
283.157229
21
0
0
0
0
0
0
0
1
12