2930273
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255
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8.0622
8.9282
5.4641
6.3301
8.0622
7.1962
4.5981
7.1962
8.9282
7.1962
8.9282
8.0622
7.1962
6.3301
8.0622
6.3301
4.5981
3.732
8.0622
7.1962
5.4641
3.732
3.732
5.4641
2.866
3.732
2.866
5.4641
2
4.5981
2
6.5856
6.9841
9.1403
9.5388
6.9841
6.5856
9.5388
9.1403
6.6592
5.7932
8.5991
8.5991
7.1962
3.1951
4.269
6.001
2.866
3.1951
2.866
6.001
1.4631
4.5981
1.4631
5.5
2
-1
-2.5
3.5
2
-2.5
4
4
5
5
2.5
1
0.5
0.5
-0.5
-3.5
-2
-0.5
-1
-2
-4
-1
-4
-2.5
-5
-0.5
-5
-2
-5.5
-1
4.1077
3.4174
3.4174
4.1077
5.5826
4.8923
4.8923
5.5826
2.31
0.81
0.81
-0.81
-1.62
-3.69
-0.69
-3.69
-3.12
-5.31
0.12
-5.31
-2.31
-6.12
-0.69
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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
565
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
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B38000000000000000000000000000000000000003C60C1000000000000015000001E0010000000080CE1900631CE83C004008800244258008208002122000888000E6C888E2662C4B19B8F32286ED61BD8E8279050030000000002000000000000000400000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
[3-(morpholine-4-carbonylamino)phenyl] N,N-diphenylcarbamate
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N,N-diphenylcarbamic acid [3-[[4-morpholinyl(oxo)methyl]amino]phenyl] ester
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
[3-(morpholine-4-carbonylamino)phenyl] N,N-diphenylcarbamate
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
[3-(morpholin-4-ylcarbonylamino)phenyl] N,N-diphenylcarbamate
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N,N-diphenylcarbamic acid [3-(morpholine-4-carbonylamino)phenyl] ester
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H23N3O4/c28-23(26-14-16-30-17-15-26)25-19-8-7-13-22(18-19)31-24(29)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,18H,14-17H2,(H,25,28)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
MIEMIBBLVPODGX-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
417.168856
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H23N3O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
417.45712
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1COCCN1C(=O)NC2=CC(=CC=C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1COCCN1C(=O)NC2=CC(=CC=C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
71.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
417.168856
31
0
0
0
0
0
0
0
1
2