2-amino-N-cyclobutyl-3-methylbenzamide

C12H16N2O — CID 62416482

IUPAC2-amino-N-cyclobutyl-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCC2)c1N
InChIInChI=1S/C12H16N2O/c1-8-4-2-7-10(11(8)13)12(15)14-9-5-3-6-9/h2,4,7,9H,3,5-6,13H2,1H3,(H,14,15)
InChIKeyLSFCONMINQNTAA-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.86
Rot. Bonds2

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

2-amino-N-cyclobutyl-3-methylbenzamide (PubChem CID 62416482) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-N-cyclobutyl-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-cyclobutyl-3-methylbenzamide
PubChem CID62416482
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-N-cyclobutyl-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCC2)c1N
InChIInChI=1S/C12H16N2O/c1-8-4-2-7-10(11(8)13)12(15)14-9-5-3-6-9/h2,4,7,9H,3,5-6,13H2,1H3,(H,14,15)
InChIKeyLSFCONMINQNTAA-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

N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
CID 107211262
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-cyclopentyl-2-ethenyl-3-methylbenzamide
CID 169452439
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclobutyl-3-methylbenzamide?
The IUPAC name of 2-amino-N-cyclobutyl-3-methylbenzamide (CID 62416482) is 2-amino-N-cyclobutyl-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-cyclobutyl-3-methylbenzamide?
The canonical SMILES for 2-amino-N-cyclobutyl-3-methylbenzamide is Cc1cccc(C(=O)NC2CCC2)c1N.
What is the InChIKey of 2-amino-N-cyclobutyl-3-methylbenzamide?
The InChIKey is LSFCONMINQNTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-4-2-7-10(11(8)13)12(15)14-9-5-3-6-9/h2,4,7,9H,3,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-cyclobutyl-3-methylbenzamide?
2-amino-N-cyclobutyl-3-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 2-amino-N-cyclobutyl-3-methylbenzamide is sourced from PubChem (CID 62416482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).