6020846
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2.866
7.1962
8.9757
6.3301
5.4641
5.4641
4.5981
5.4641
4.5981
3.732
5.4641
6.3301
3.732
6.3301
5.4641
4.5981
7.1962
5.4641
8.0622
4.5981
2
8.1667
3.732
4.5981
9.1448
2.866
3.732
2.866
9.6448
4.386
3.9875
5.6762
6.0747
4.9272
6.001
3.1951
6.001
4.5981
4.9272
7.1962
1.69
1.4631
2.31
7.706
3.732
5.135
2.3291
3.732
9.397
2.3291
10.2615
-2.75
-0.25
1.6567
3.25
-0.25
1.75
-1.75
-1.25
-2.75
-3.25
-3.25
0.25
-4.25
1.25
-4.25
-4.75
1.75
2.75
1.25
3.25
-3.25
0.2555
2.75
4.25
0.0476
3.25
4.75
4.25
0.9136
-1.1674
-1.8577
-1.8326
-1.1423
0.06
-2.94
-4.56
-4.56
-5.37
1.44
2.37
-2.7131
-3.56
-3.7869
-0.1594
2.13
4.56
2.94
5.37
-0.5188
4.56
0.9784
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
571
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C7B8C8A08E00000000000800000000000000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(2-furanyl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[(E)-2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C23H22N2O4/c1-28-21-12-6-5-8-17(21)13-14-24-23(27)20(16-19-11-7-15-29-19)25-22(26)18-9-3-2-4-10-18/h2-12,15-16H,13-14H2,1H3,(H,24,27)(H,25,26)/b20-16+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
CGWOJIGXPHSRQA-CAPFRKAQSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
390.157957
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C23H22N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
390.43178
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1CCNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=CC=C1CCNC(=O)/C(=C\C2=CC=CO2)/NC(=O)C3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
80.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
390.157957
29
0
0
0
1
1
0
0
1
4