[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea

C15H23N3O — CID 64744825

IUPAC[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
SMILESCC1CCC(Nc2ccc(NC(N)=O)cc2)CC1C
InChIInChI=1S/C15H23N3O/c1-10-3-4-14(9-11(10)2)17-12-5-7-13(8-6-12)18-15(16)19/h5-8,10-11,14,17H,3-4,9H2,1-2H3,(H3,16,18,19)
InChIKeyVALBBQFPQTTZQI-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.41
Rot. Bonds3

About [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea

[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea (PubChem CID 64744825) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea.

Molecular Properties

Compound Name[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
PubChem CID64744825
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea
SMILESCC1CCC(Nc2ccc(NC(N)=O)cc2)CC1C
InChIInChI=1S/C15H23N3O/c1-10-3-4-14(9-11(10)2)17-12-5-7-13(8-6-12)18-15(16)19/h5-8,10-11,14,17H,3-4,9H2,1-2H3,(H3,16,18,19)
InChIKeyVALBBQFPQTTZQI-UHFFFAOYSA-N
XLogP3.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylamino)phenyl]urea
CID 103439135
[4-(cyclopentylamino)phenyl]urea
CID 43744886
N-(3,4-dimethylcyclohexyl)-4-ethylsulfonylaniline
CID 64731826
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604
[4-[(4-methylthiolan-3-yl)amino]phenyl]urea
CID 114285169
4-[(3,4-dimethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81282708
4-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 115485504
2-bromo-4-[(3,4-dimethylcyclohexyl)amino]benzoic acid
CID 107282136
1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea
CID 64501930
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
CID 64738718
methyl 5-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoate
CID 64734532
[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
CID 106662193

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea?
The IUPAC name of [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea (CID 64744825) is [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea.
What is the SMILES notation for [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea?
The canonical SMILES for [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea is CC1CCC(Nc2ccc(NC(N)=O)cc2)CC1C.
What is the InChIKey of [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea?
The InChIKey is VALBBQFPQTTZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-3-4-14(9-11(10)2)17-12-5-7-13(8-6-12)18-15(16)19/h5-8,10-11,14,17H,3-4,9H2,1-2H3,(H3,16,18,19).
What are the key properties of [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea?
[4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea has a molecular weight of 261.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylcyclohexyl)amino]phenyl]urea is sourced from PubChem (CID 64744825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).