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6.3301
3.7891
3.732
2.866
7.1962
5.4641
8.0622
8.9282
8.0622
9.7942
8.9282
9.7942
6.3301
5.4641
4.5981
4.5981
4.5981
4.5981
5.4071
3.732
5.4641
5.0981
3.732
4.0981
5.4641
4.5981
2
8.0622
7.8501
7.4516
8.5297
9.3267
9.3267
8.5297
10.0063
10.4048
10.4048
10.0063
7.1962
6.001
4.0611
5.9967
6.001
5.4625
3.1951
6.001
3.7336
4.5981
1.69
1.4631
2.31
2.2306
2.8184
-0.2694
-1.7694
0.7306
-0.2694
1.2306
0.7306
2.2306
1.2306
2.7306
2.2306
1.2306
0.7306
1.2306
-0.7694
2.2306
-1.7694
2.8184
-2.2694
-2.2694
3.7694
-3.2694
3.7694
-3.2694
-3.7694
-2.2694
0.6106
2.8132
2.1229
0.2556
0.2556
3.2055
3.2055
0.648
1.3382
2.1229
2.8132
0.1106
-0.5794
0.9206
2.6268
-1.9594
4.271
-3.5794
-3.5794
4.271
-4.3894
-1.7325
-2.5794
-2.8064
8
8
8
8
8
8
8
8
8
8
8
2
2
17
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25
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24
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0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.372
Cactvs
xemistry.com
2010.07.16
542
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.372
Cactvs
xemistry.com
2010.07.16
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.372
Cactvs
xemistry.com
2010.07.16
2
Count
Rotatable Bond
5
E_NROTBONDS
3.372
Cactvs
xemistry.com
2010.07.16
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.372
Cactvs
xemistry.com
2010.07.16
00000371E07B380000000000000000000000000000012000000030600000000000000001C000001E00100000000C2CE19806320682C004408802AD52D0008208002422000888818E0CC80C663684B53B963968E6F61188A9C798C8208E00000000000800000000000000100000000000000000
IUPAC Name
Allowed
1
2.0.0
LexiChem
openeye.com
2010.07.16
N-[(E)-1-(cyclohexylcarbamoyl)-2-(2-furyl)vinyl]-2-methoxy-benzamide
IUPAC Name
CAS-like Style
1
2.0.0
LexiChem
openeye.com
2010.07.16
N-[(E)-3-(cyclohexylamino)-1-(2-furanyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
IUPAC Name
Preferred
1
2.0.0
LexiChem
openeye.com
2010.07.16
N-[(E)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
IUPAC Name
Systematic
1
2.0.0
LexiChem
openeye.com
2010.07.16
N-[(E)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-methoxy-benzamide
IUPAC Name
Traditional
1
2.0.0
LexiChem
openeye.com
2010.07.16
N-[(E)-1-(cyclohexylcarbamoyl)-2-(2-furyl)vinyl]-2-methoxy-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2010.07.16
InChI=1S/C21H24N2O4/c1-26-19-12-6-5-11-17(19)20(24)23-18(14-16-10-7-13-27-16)21(25)22-15-8-3-2-4-9-15/h5-7,10-15H,2-4,8-9H2,1H3,(H,22,25)(H,23,24)/b18-14+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2010.07.16
WWBTXUQTOKYSFF-NBVRZTHBSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2010.07.16
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2010.07.16
368.173607
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2010.07.16
C21H24N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2010.07.16
368.42626
SMILES
Canonical
1
1.7.2
OEChem
openeye.com
2010.07.16
COC1=CC=CC=C1C(=O)NC(=CC2=CC=CO2)C(=O)NC3CCCCC3
SMILES
Isomeric
1
1.7.2
OEChem
openeye.com
2010.07.16
COC1=CC=CC=C1C(=O)N/C(=C/C2=CC=CO2)/C(=O)NC3CCCCC3
Topological
Polar Surface Area
7
E_TPSA
3.372
Cactvs
xemistry.com
2010.07.16
80.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2010.07.16
368.173607
27
0
0
0
1
1
0
0
1
4