1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea

C15H22N2O — CID 47322191

IUPAC1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-11-7-9-13(10-8-11)12(2)16-15(18)17-14-5-3-4-6-14/h7-10,12,14H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyMHTFICVBYKMSST-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.30
Rot. Bonds3

About 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea

1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea (PubChem CID 47322191) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
PubChem CID47322191
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-11-7-9-13(10-8-11)12(2)16-15(18)17-14-5-3-4-6-14/h7-10,12,14H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyMHTFICVBYKMSST-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-cyclohexyl-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100744989
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153648
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea (CID 47322191) is 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea is Cc1ccc(C(C)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea?
The InChIKey is MHTFICVBYKMSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-9-13(10-8-11)12(2)16-15(18)17-14-5-3-4-6-14/h7-10,12,14H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea?
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea has a molecular weight of 246.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 47322191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).