1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea

C15H28N2O — CID 113226526

IUPAC1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
SMILESCCC1CCC(CNC(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-4-6-14/h12-14H,2-11H2,1H3,(H2,16,17,18)
InChIKeyPWNMJBZTTYSECR-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.44
Rot. Bonds4

About 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea

1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea (PubChem CID 113226526) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
PubChem CID113226526
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
SMILESCCC1CCC(CNC(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-4-6-14/h12-14H,2-11H2,1H3,(H2,16,17,18)
InChIKeyPWNMJBZTTYSECR-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 86882343
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
1-[(1-acetylpiperidin-4-yl)methyl]-3-cyclohexylurea
CID 110749270
N-cycloheptyl-2-[(4-ethylcyclohexyl)methylamino]acetamide
CID 63492902
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
1-cyclopentyl-3-propylurea
CID 14343339
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea (CID 113226526) is 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea is CCC1CCC(CNC(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea?
The InChIKey is PWNMJBZTTYSECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-4-6-14/h12-14H,2-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea?
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea has a molecular weight of 252.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea is sourced from PubChem (CID 113226526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).