1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea

C13H24N2O2 — CID 60970162

IUPAC1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
SMILESCC(C)(C)C(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)11(16)9-14-12(17)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15,17)
InChIKeyZGJXBVDPWZAJRR-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.23
Rot. Bonds3

About 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea

1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea (PubChem CID 60970162) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
PubChem CID60970162
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
SMILESCC(C)(C)C(=O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)11(16)9-14-12(17)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15,17)
InChIKeyZGJXBVDPWZAJRR-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
N-(1-amino-2-methylpropan-2-yl)-2-(cyclohexylcarbamoylamino)acetamide;hydrochloride
CID 119524542
2-(cyclopentylcarbamoylamino)-N,N-dimethylacetamide
CID 38168189
1-cyclobutyl-3-(2,2-dimethylpropyl)urea
CID 115617999
1-(4-amino-2,2-dimethylbutyl)-3-cyclohexylurea
CID 106141204
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
CID 119656351
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-cyclopentyl-3-propylurea
CID 14343339
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
2-(cyclobutylcarbamoylamino)-N-ethylacetamide
CID 115617813
1-cyclohexyl-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 71787244

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea (CID 60970162) is 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea is CC(C)(C)C(=O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea?
The InChIKey is ZGJXBVDPWZAJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)11(16)9-14-12(17)15-10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea?
1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea is sourced from PubChem (CID 60970162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).