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6.3301
10.6603
5.4641
5.4641
6.3301
3.732
4.5981
2.866
3.732
3.732
2.866
4.5981
4.5981
2
8.9282
3.732
7.1962
9.7942
8.0622
8.9282
9.7942
7.1962
8.0622
4.5981
6.3301
8.9282
10.6603
5.4641
5.4641
8.9282
10.6603
9.7942
2.3291
5.135
5.135
2.31
1.4631
1.69
3.1951
3.112
3.732
4.352
8.0622
9.4651
6.6592
8.0622
8.3913
11.1972
4.0611
5.252
4.8535
8.3913
11.1972
9.7942
0.75
3.25
-2.75
2.25
-1.25
-2.75
-1.25
-4.25
-3.75
-5.75
-5.25
-4.25
-5.25
-3.75
3.25
-6.75
2.25
3.75
3.75
2.25
4.75
3.25
1.75
-2.25
1.75
5.25
5.25
0.25
-0.75
6.25
6.25
6.75
-5.56
-3.94
-5.56
-3.2131
-3.44
-4.2869
-2.44
-6.75
-7.37
-6.75
4.37
1.94
3.56
1.13
4.94
4.94
-0.94
0.8326
0.1423
6.56
6.56
7.37
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
680
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
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
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B38000000000000000000000000000000000000003060C0000000000000015000001E00100000000C0CA1980233C882C004008802A5D25802820000250200088801406CC88A2632C0B59D8731086CD52358E9A798C8F08E48000200000200009000040000040000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 4-benzoylbenzoate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-benzoylbenzoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-benzoylbenzoate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-benzoylbenzoic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C25H22N2O5/c1-16-8-13-21(17(2)14-16)26-25(31)27-22(28)15-32-24(30)20-11-9-19(10-12-20)23(29)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H2,26,27,28,31)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
ZHYRWYUCIKYTHH-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
430.152872
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C25H22N2O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
430.45258
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
102
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
430.152872
32
0
0
0
0
0
0
0
1
5