1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea

C12H24N2O2 — CID 104594557

IUPAC1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
SMILESCC(C)(O)C(C)(C)NC(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-11(2,12(3,4)16)14-10(15)13-9-7-5-6-8-9/h9,16H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyMXWPOTSDTRTLJM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.78
Rot. Bonds3

About 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea

1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea (PubChem CID 104594557) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
PubChem CID104594557
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
SMILESCC(C)(O)C(C)(C)NC(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-11(2,12(3,4)16)14-10(15)13-9-7-5-6-8-9/h9,16H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyMXWPOTSDTRTLJM-UHFFFAOYSA-N
XLogP1.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-cyclobutylurea
CID 17217146
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
N-cyclopentyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 113350261
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
2-(cyclohexylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792259
1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 79493195
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea (CID 104594557) is 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea is CC(C)(O)C(C)(C)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea?
The InChIKey is MXWPOTSDTRTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,12(3,4)16)14-10(15)13-9-7-5-6-8-9/h9,16H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea?
1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea has a molecular weight of 228.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea is sourced from PubChem (CID 104594557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).