1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C16H24N2O2 — CID 111473192

IUPAC1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCc1cccc(C)c1NC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C16H24N2O2/c1-11-6-4-7-12(2)14(11)18-15(20)17-13-8-5-9-16(13,3)10-19/h4,6-7,13,19H,5,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyAIEWNKYQPJAFDX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111473192) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111473192
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCc1cccc(C)c1NC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C16H24N2O2/c1-11-6-4-7-12(2)14(11)18-15(20)17-13-8-5-9-16(13,3)10-19/h4,6-7,13,19H,5,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyAIEWNKYQPJAFDX-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide
CID 109399464
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 111486885
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111486882
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 111473573
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111506190
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(2-phenylcyclopropyl)methyl]urea
CID 111506232

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111473192) is 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is Cc1cccc(C)c1NC(=O)NC1CCCC1(C)CO.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is AIEWNKYQPJAFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-6-4-7-12(2)14(11)18-15(20)17-13-8-5-9-16(13,3)10-19/h4,6-7,13,19H,5,8-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111473192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).