3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide

C15H22N2O2 — CID 115161356

IUPAC3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CC(N)C2)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-8-5-13(19-4)9(2)10(3)14(8)17-15(18)11-6-12(16)7-11/h5,11-12H,6-7,16H2,1-4H3,(H,17,18)
InChIKeyLHSSYXKUXBQDPC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds3

About 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide

3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide (PubChem CID 115161356) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide
PubChem CID115161356
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2CC(N)C2)c(C)c1C
InChIInChI=1S/C15H22N2O2/c1-8-5-13(19-4)9(2)10(3)14(8)17-15(18)11-6-12(16)7-11/h5,11-12H,6-7,16H2,1-4H3,(H,17,18)
InChIKeyLHSSYXKUXBQDPC-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminocyclobutyl)-(4-methoxy-2,3,6-trimethylphenyl)methanone
CID 116917786
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
CID 66009992
3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161310
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722
3-(4-methoxy-2,3,6-trimethylanilino)-3-oxopropanoic acid
CID 115163267
2-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)propanamide
CID 115140443
(3-aminocyclobutyl)-(2,5-dimethoxy-4-methylphenyl)methanone
CID 116917726
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
N-(2-methoxy-4,6-dimethylphenyl)azetidine-3-carboxamide
CID 115158671
(3-aminocyclobutyl)-(4-methoxy-3-methylphenyl)methanone
CID 116917663

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide (CID 115161356) is 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide is COc1cc(C)c(NC(=O)C2CC(N)C2)c(C)c1C.
What is the InChIKey of 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide?
The InChIKey is LHSSYXKUXBQDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-8-5-13(19-4)9(2)10(3)14(8)17-15(18)11-6-12(16)7-11/h5,11-12H,6-7,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide?
3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-2,3,6-trimethylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115161356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).