1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide

C13H18N2O2 — CID 81169679

IUPAC1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(C)c(O)c(NC(=O)C2(N)CCC2)c1
InChIInChI=1S/C13H18N2O2/c1-8-6-9(2)11(16)10(7-8)15-12(17)13(14)4-3-5-13/h6-7,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyKLNTYVPHJIPAKH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds2

About 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide

1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide (PubChem CID 81169679) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide
PubChem CID81169679
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(C)c(O)c(NC(=O)C2(N)CCC2)c1
InChIInChI=1S/C13H18N2O2/c1-8-6-9(2)11(16)10(7-8)15-12(17)13(14)4-3-5-13/h6-7,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyKLNTYVPHJIPAKH-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757304
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 65465042
1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 62816762
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-amino-N-(4-methyl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119858196
2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 61159058
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
1-amino-N-(1,4-dimethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 119343334

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide (CID 81169679) is 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide is Cc1cc(C)c(O)c(NC(=O)C2(N)CCC2)c1.
What is the InChIKey of 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide?
The InChIKey is KLNTYVPHJIPAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-6-9(2)11(16)10(7-8)15-12(17)13(14)4-3-5-13/h6-7,16H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide?
1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81169679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).