1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea

C12H24N2O2 — CID 79493195

IUPAC1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
SMILESCCC(CC)(CO)NC(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,9-15)14-11(16)13-10-7-5-6-8-10/h10,15H,3-9H2,1-2H3,(H2,13,14,16)
InChIKeyZZJORJAOYDDRCA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.78
Rot. Bonds5

About 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea

1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea (PubChem CID 79493195) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
PubChem CID79493195
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
SMILESCCC(CC)(CO)NC(=O)NC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,9-15)14-11(16)13-10-7-5-6-8-10/h10,15H,3-9H2,1-2H3,(H2,13,14,16)
InChIKeyZZJORJAOYDDRCA-UHFFFAOYSA-N
XLogP1.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
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-cyclohexyl-3-(3-ethylpentan-3-yl)urea
CID 115660907
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-(cyclopentylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 114010606
1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
CID 116658153
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 104594557
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea (CID 79493195) is 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea is CCC(CC)(CO)NC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea?
The InChIKey is ZZJORJAOYDDRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(4-2,9-15)14-11(16)13-10-7-5-6-8-10/h10,15H,3-9H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea?
1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea has a molecular weight of 228.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea is sourced from PubChem (CID 79493195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).