3-amino-N-cyclobutyl-2-methylbenzamide

C12H16N2O — CID 62416681

IUPAC3-amino-N-cyclobutyl-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC1CCC1
InChIInChI=1S/C12H16N2O/c1-8-10(6-3-7-11(8)13)12(15)14-9-4-2-5-9/h3,6-7,9H,2,4-5,13H2,1H3,(H,14,15)
InChIKeyHIGCQHOCKXYRHG-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.86
Rot. Bonds2

About 3-amino-N-cyclobutyl-2-methylbenzamide

3-amino-N-cyclobutyl-2-methylbenzamide (PubChem CID 62416681) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-N-cyclobutyl-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclobutyl-2-methylbenzamide
PubChem CID62416681
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-amino-N-cyclobutyl-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC1CCC1
InChIInChI=1S/C12H16N2O/c1-8-10(6-3-7-11(8)13)12(15)14-9-4-2-5-9/h3,6-7,9H,2,4-5,13H2,1H3,(H,14,15)
InChIKeyHIGCQHOCKXYRHG-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylbenzamide
CID 61101990
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107036
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
CID 121005204
3-amino-2-methyl-N-(2-oxooxolan-3-yl)benzamide
CID 43822725
3-amino-N-cyclohexyl-2-nitrobenzamide
CID 115548193
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclobutyl-2-methylbenzamide?
The IUPAC name of 3-amino-N-cyclobutyl-2-methylbenzamide (CID 62416681) is 3-amino-N-cyclobutyl-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-cyclobutyl-2-methylbenzamide?
The canonical SMILES for 3-amino-N-cyclobutyl-2-methylbenzamide is Cc1c(N)cccc1C(=O)NC1CCC1.
What is the InChIKey of 3-amino-N-cyclobutyl-2-methylbenzamide?
The InChIKey is HIGCQHOCKXYRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-10(6-3-7-11(8)13)12(15)14-9-4-2-5-9/h3,6-7,9H,2,4-5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-cyclobutyl-2-methylbenzamide?
3-amino-N-cyclobutyl-2-methylbenzamide has a molecular weight of 204.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclobutyl-2-methylbenzamide is sourced from PubChem (CID 62416681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).