35596394
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5.4641
2.923
2.866
6.3301
4.5981
7.1962
8.0622
7.1962
8.9282
8.0622
8.9282
5.4641
4.5981
3.732
3.732
3.732
3.732
2.866
4.5981
4.5411
2.866
2
4.5981
3.732
4.232
3.232
6.6592
6.9841
6.5856
7.6636
8.4607
8.4607
7.6636
9.1403
9.5388
9.5388
9.1403
6.3301
5.135
3.1951
5.135
5.1307
2.3291
2.31
1.4631
1.69
5.135
3.732
4.5965
2.8676
2.2306
2.8184
-0.2694
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
-2.2694
-2.2694
2.8184
-3.2694
-1.7694
-3.2694
-3.7694
3.7694
3.7694
1.5406
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
-1.9594
2.6268
-3.5794
-1.2325
-1.4594
-2.3064
-3.5794
-4.3894
4.271
4.271
8
8
8
8
8
8
8
8
8
8
8
2
2
16
17
17
18
19
20
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23
25
16
26
20
18
19
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26
0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.372
Cactvs
xemistry.com
2010.07.16
525
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.372
Cactvs
xemistry.com
2010.07.16
3
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.372
Cactvs
xemistry.com
2010.07.16
00000371E07B300000000000000000000000000000012000000030600000000000000001C000001E00100000000C2CE19806320482C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C79888808E80000000001000000000000000200000000000000000
IUPAC Name
Allowed
1
2.0.0
LexiChem
openeye.com
2010.07.16
N-[(E)-1-(cyclohexylcarbamoyl)-2-(2-furyl)vinyl]-2-methyl-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-methylbenzamide
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-methylbenzamide
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-methyl-benzamide
IUPAC Name
Traditional
1
2.0.0
LexiChem
openeye.com
2010.07.16
N-[(E)-1-(cyclohexylcarbamoyl)-2-(2-furyl)vinyl]-2-methyl-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2010.07.16
InChI=1S/C21H24N2O3/c1-15-8-5-6-12-18(15)20(24)23-19(14-17-11-7-13-26-17)21(25)22-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,22,25)(H,23,24)/b19-14+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2010.07.16
LPCVUPOASZIKQL-XMHGGMMESA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2010.07.16
3.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2010.07.16
352.178693
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2010.07.16
C21H24N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2010.07.16
352.42686
SMILES
Canonical
1
1.7.2
OEChem
openeye.com
2010.07.16
CC1=CC=CC=C1C(=O)NC(=CC2=CC=CO2)C(=O)NC3CCCCC3
SMILES
Isomeric
1
1.7.2
OEChem
openeye.com
2010.07.16
CC1=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
71.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2010.07.16
352.178693
26
0
0
0
1
1
0
0
1
4