4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide

C13H18N2O2 — CID 113467050

IUPAC4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
SMILESCOc1cc(N)ccc1C(=O)NC1CC(C)C1
InChIInChI=1S/C13H18N2O2/c1-8-5-10(6-8)15-13(16)11-4-3-9(14)7-12(11)17-2/h3-4,7-8,10H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyREEFGDZLHQGSTE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide

4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide (PubChem CID 113467050) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
PubChem CID113467050
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
SMILESCOc1cc(N)ccc1C(=O)NC1CC(C)C1
InChIInChI=1S/C13H18N2O2/c1-8-5-10(6-8)15-13(16)11-4-3-9(14)7-12(11)17-2/h3-4,7-8,10H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyREEFGDZLHQGSTE-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 114154678
2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
CID 115413365
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64734584
2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28689875
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide?
The IUPAC name of 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide (CID 113467050) is 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide?
The canonical SMILES for 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide is COc1cc(N)ccc1C(=O)NC1CC(C)C1.
What is the InChIKey of 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide?
The InChIKey is REEFGDZLHQGSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-5-10(6-8)15-13(16)11-4-3-9(14)7-12(11)17-2/h3-4,7-8,10H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide?
4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide is sourced from PubChem (CID 113467050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).