1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C14H26N2O2 — CID 111470878

IUPAC1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-14(10-17)9-5-8-12(14)16-13(18)15-11-6-3-2-4-7-11/h11-12,17H,2-10H2,1H3,(H2,15,16,18)
InChIKeyQHTYKJSOXWXRSP-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.17
Rot. Bonds3

About 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111470878) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111470878
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)NC1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-14(10-17)9-5-8-12(14)16-13(18)15-11-6-3-2-4-7-11/h11-12,17H,2-10H2,1H3,(H2,15,16,18)
InChIKeyQHTYKJSOXWXRSP-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 111504406
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 111503768
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508607
1-(2-cycloheptyloxyethyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111506485
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
N-[2-(hydroxymethyl)-2-methylcyclopentyl]piperidine-4-carboxamide
CID 110011970
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111503818
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111470878) is 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CC1(CO)CCCC1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is QHTYKJSOXWXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(10-17)9-5-8-12(14)16-13(18)15-11-6-3-2-4-7-11/h11-12,17H,2-10H2,1H3,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 254.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111470878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).