2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide

C13H18N2O2 — CID 107075183

IUPAC2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H18N2O2/c1-15(8-9-3-2-4-9)13(17)11-7-10(16)5-6-12(11)14/h5-7,9,16H,2-4,8,14H2,1H3
InChIKeyWHRVORSKYJJWSL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide

2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide (PubChem CID 107075183) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
PubChem CID107075183
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H18N2O2/c1-15(8-9-3-2-4-9)13(17)11-7-10(16)5-6-12(11)14/h5-7,9,16H,2-4,8,14H2,1H3
InChIKeyWHRVORSKYJJWSL-UHFFFAOYSA-N
XLogP1.85
TPSA66.56 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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
4-amino-N-(cyclobutylmethyl)-3-fluoro-N-methylbenzamide
CID 62862148
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide (CID 107075183) is 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide is CN(CC1CCC1)C(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide?
The InChIKey is WHRVORSKYJJWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(8-9-3-2-4-9)13(17)11-7-10(16)5-6-12(11)14/h5-7,9,16H,2-4,8,14H2,1H3.
What are the key properties of 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide?
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107075183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).