3559144
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-1
6
18
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42
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1
1
5
255
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2.866
7.1962
8.0622
4.5981
5.4641
5.4641
7.1962
4.5981
5.4641
3.732
3.732
5.4641
3.732
5.4641
3.732
4.5981
5.4641
4.5981
2
6.3301
8.0622
6.3301
7.1962
8.9282
8.0622
9.7942
8.9282
9.7942
6.0747
5.6762
3.52
3.1215
3.1951
6.001
3.112
3.732
4.352
4.8441
5.4641
6.0841
6.001
4.0611
1.69
1.4631
2.31
6.1181
5.7196
4.9272
6.6592
8.9282
7.5252
10.3312
8.9282
10.3312
-1.5
1
2.5
-4.5
0
1
4
-3.5
-5
-5
-3
-3
-2
-6
-6
-1.5
-2
-0.5
-2
2.5
4.5
1.5
3
4
5.5
4.5
6
5.5
-5.1077
-4.4174
-4.4174
-5.1077
-3.31
-3.31
-6
-6.62
-6
-6
-6.62
-6
-1.69
-0.19
-1.4631
-2.31
-2.5369
3.0826
2.3923
1.31
4.31
3.38
5.81
4.19
6.62
5.81
1
8
8
8
8
8
8
8
8
8
8
8
8
5
8
8
11
12
13
16
21
21
24
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27
18
11
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28
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
516
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
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07BB000000000000000000000000000000000000000306000000000000000014000001E00180000000C0CC1980632C683E20400A802357350009208002122001A88012E6C980C26AACCF19B84302866DC19C8E80790D0230E08000002000800001000000400100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-[[4-(diethylamino)-2-methoxy-phenyl]methyleneamino]-N-phenyl-propanediamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N-phenylpropanediamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-[[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-N-phenylpropanediamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-[[4-(diethylamino)-2-methoxy-phenyl]methylideneamino]-N-phenyl-propanediamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-[[4-(diethylamino)-2-methoxy-benzylidene]amino]-N-phenyl-malonamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C21H26N4O3/c1-4-25(5-2)18-12-11-16(19(13-18)28-3)15-22-24-21(27)14-20(26)23-17-9-7-6-8-10-17/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
FQHNRTLCTDFHDG-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.200491
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C21H26N4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.45614
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)CC(=O)NC2=CC=CC=C2)OC
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)CC(=O)NC2=CC=CC=C2)OC
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
83
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.200491
28
0
0
0
1
0
1
0
1
8