1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea

C14H26N2O2 — CID 103742031

IUPAC1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
SMILESCOC1CC(NC(=O)NC2CCCCC2)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-14(2)11(9-12(14)18-3)16-13(17)15-10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyAGZRIRUNLRLJJF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.43
Rot. Bonds3

About 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea

1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea (PubChem CID 103742031) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
PubChem CID103742031
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
SMILESCOC1CC(NC(=O)NC2CCCCC2)C1(C)C
InChIInChI=1S/C14H26N2O2/c1-14(2)11(9-12(14)18-3)16-13(17)15-10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyAGZRIRUNLRLJJF-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
CID 103742081
1-(4,4-difluorocyclohexyl)-3-(2,2-dimethyl-3-propan-2-yloxycyclobutyl)urea
CID 136531775
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
CID 104768155
N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide
CID 103743813
N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
CID 130677750
1-cyclobutyl-3-cyclohexylurea
CID 17217147
2-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-3-methylbutanoic acid
CID 113364324
2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)cyclopentane-1-carboxamide
CID 113267245
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114118830
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
CID 119817878
1-cycloheptyl-3-methoxyurea
CID 126986046

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea (CID 103742031) is 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea is COC1CC(NC(=O)NC2CCCCC2)C1(C)C.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea?
The InChIKey is AGZRIRUNLRLJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2)11(9-12(14)18-3)16-13(17)15-10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea?
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea has a molecular weight of 254.37 g/mol, XLogP of 2.43, 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-methoxy-2,2-dimethylcyclobutyl)urea is sourced from PubChem (CID 103742031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).