4405566
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9.7942
5.4641
2.923
2.866
6.3301
4.5981
8.0622
7.1962
8.9282
9.7942
2.866
8.9282
3.732
3.732
4.5981
5.4641
2.866
4.5981
10.6603
4.5981
3.732
9.7942
10.6603
2
3.732
3.732
3.732
10.6603
4.5411
4.232
3.232
7.6636
8.4607
7.5947
6.7976
6.3301
8.3913
2.3291
5.135
5.135
11.1972
5.135
9.7942
11.1972
1.69
1.4631
2.31
3.112
3.732
4.352
3.1951
10.3503
11.1972
10.9703
5.1307
4.5965
2.8676
0.2306
2.7306
3.3184
0.2306
1.2306
0.2306
1.2306
1.7306
1.7306
1.2306
-2.7694
2.7306
-1.2694
-3.2694
1.2306
1.7306
-1.7694
-1.7694
1.7306
-2.7694
-0.2694
3.2306
2.7306
-3.2694
-4.2694
1.7306
2.7306
-0.2694
3.3184
4.2694
4.2694
0.7556
0.7556
2.2055
2.2055
0.6106
3.0406
-1.4594
-1.4594
-3.0794
1.4206
-0.0794
3.8506
3.0406
-2.7325
-3.5794
-3.8064
-4.2694
-4.8894
-4.2694
1.4206
-0.8064
-0.5794
0.2675
3.1268
4.771
4.771
8
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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
635
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
00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E4D61188A9C7B8C8E08EC0000200001800008000040000300000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]-3,4-dimethyl-benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[1-(2-furanyl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[1-(furan-2-yl)-3-[2-(2-methoxyphenyl)ethylamino]-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethyl-benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(2-furyl)-1-[2-(2-methoxyphenyl)ethylcarbamoyl]vinyl]-3,4-dimethyl-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C25H26N2O4/c1-17-10-11-20(15-18(17)2)24(28)27-22(16-21-8-6-14-31-21)25(29)26-13-12-19-7-4-5-9-23(19)30-3/h4-11,14-16H,12-13H2,1-3H3,(H,26,29)(H,27,28)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
DHNBIESSXINVPW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
418.189257
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C25H26N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
418.48494
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC3=CC=CC=C3OC)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC3=CC=CC=C3OC)C
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
418.189257
31
0
0
0
1
0
1
0
1
10