1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea

C27H30N4O2 — CID 22950818

IUPAC1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C27H30N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h1,3-4,7-8,11-18,23H,2,5-6,9-10,19H2,(H2,28,30,32)(H2,29,31,33)
InChIKeyMRYQRFJCBJEBOA-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.38
Rot. Bonds6

About 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea

1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea (PubChem CID 22950818) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea
PubChem CID22950818
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C27H30N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h1,3-4,7-8,11-18,23H,2,5-6,9-10,19H2,(H2,28,30,32)(H2,29,31,33)
InChIKeyMRYQRFJCBJEBOA-UHFFFAOYSA-N
XLogP6.38
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Daimuron
CID 39238
Atglistatin
CID 71699712
1-(2-Adamantyl)-3-(2,3,4-trifluorophenyl)urea
CID 3754047
Monodesmethylisoproturon
CID 182167
N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
1-Benzyl-1-methyl-3-phenylurea
CID 306455
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
1-Cyclohexyl-3-naphthalen-1-ylurea
CID 830951
1-(4-Fluorobenzyl)-3-phenylurea
CID 896691
N-Octyl-N'-(4-((4-(((octylamino)carbonyl)amino)phenyl)methyl)phenyl)urea
CID 14299396
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea (CID 22950818) is 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea?
The InChIKey is MRYQRFJCBJEBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h1,3-4,7-8,11-18,23H,2,5-6,9-10,19H2,(H2,28,30,32)(H2,29,31,33).
What are the key properties of 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea?
1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea has a molecular weight of 442.56 g/mol, XLogP of 6.38, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea is sourced from PubChem (CID 22950818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).