56695268
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2.866
7.8246
3.732
3.732
5.4641
4.0981
5.4641
4.5981
4.5981
3.732
4.5981
6.3301
3.0981
5.4641
6.8301
3.732
5.4641
4.5981
2.5981
6.4234
7.1665
8.0326
2
6.001
6.8671
2.5155
3.2057
6.001
4.4081
3.1951
6.001
4.5981
3.135
2.2881
2.0611
5.8169
7.1017
8.599
1.69
1.4631
2.31
-1.7244
2.2462
-0.2244
0.7756
-0.2244
2.1417
0.7756
-1.7244
-0.7244
-2.2244
1.2756
1.2756
2.1417
-2.2244
2.1417
-3.2244
-3.2244
-3.7244
3.0077
3.0552
3.7244
3.2244
-2.2244
-0.5344
0.9656
1.9296
1.5311
-1.9144
2.6786
-3.5344
-3.5344
-4.3444
3.3177
3.5446
2.6977
3.1841
4.341
3.4765
-1.6874
-2.5344
-2.7613
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0
Compound
Canonicalized
5
2012.02.08
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
450
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B380000000000000000000000000000012000000030000000000000000001C000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663684B53B963968E6F61188A9C798C8208E00000000000800000000000000100000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(E)-1-(ethylcarbamoyl)-2-(2-furyl)vinyl]-2-methoxy-benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(E)-3-(ethylamino)-1-(2-furanyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(E)-3-(ethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(E)-3-(ethylamino)-1-(furan-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-methoxy-benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(E)-1-(ethylcarbamoyl)-2-(2-furyl)vinyl]-2-methoxy-benzamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C17H18N2O4/c1-3-18-17(21)14(11-12-7-6-10-23-12)19-16(20)13-8-4-5-9-15(13)22-2/h4-11H,3H2,1-2H3,(H,18,21)(H,19,20)/b14-11+
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
DGYJMLIUODYUSO-SDNWHVSQSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
2.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
314.126657
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C17H18N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
314.33582
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCNC(=O)C(=CC1=CC=CO1)NC(=O)C2=CC=CC=C2OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCNC(=O)/C(=C\C1=CC=CO1)/NC(=O)C2=CC=CC=C2OC
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
80.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
314.126657
23
0
0
0
1
1
0
0
1
4