1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea

C16H25N3O — CID 64761262

IUPAC1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NC2CCCC(C)C2C)cc1
InChIInChI=1S/C16H25N3O/c1-11-5-4-6-15(12(11)2)18-13-7-9-14(10-8-13)19-16(20)17-3/h7-12,15,18H,4-6H2,1-3H3,(H2,17,19,20)
InChIKeyMRBOWAGOXLJWEV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.67
Rot. Bonds3

About 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea

1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea (PubChem CID 64761262) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea
PubChem CID64761262
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NC2CCCC(C)C2C)cc1
InChIInChI=1S/C16H25N3O/c1-11-5-4-6-15(12(11)2)18-13-7-9-14(10-8-13)19-16(20)17-3/h7-12,15,18H,4-6H2,1-3H3,(H2,17,19,20)
InChIKeyMRBOWAGOXLJWEV-UHFFFAOYSA-N
XLogP3.67
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-dimethylcyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64761864
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea
CID 64501930
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
2-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-2-methylpropanenitrile
CID 64762398
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946763
N-[4-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]phenyl]acetamide
CID 6599147
(2S)-N-(4-acetamidophenyl)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11946761
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43078612

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea (CID 64761262) is 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NC2CCCC(C)C2C)cc1.
What is the InChIKey of 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea?
The InChIKey is MRBOWAGOXLJWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-5-4-6-15(12(11)2)18-13-7-9-14(10-8-13)19-16(20)17-3/h7-12,15,18H,4-6H2,1-3H3,(H2,17,19,20).
What are the key properties of 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea?
1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea has a molecular weight of 275.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea is sourced from PubChem (CID 64761262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).