2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

C13H18N2O — CID 115597703

IUPAC2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CC2C)c1N
InChIInChI=1S/C13H18N2O/c1-8-4-3-5-11(12(8)14)13(16)15-7-10-6-9(10)2/h3-5,9-10H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyHQUYYWZAQOUIEL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 115597703) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID115597703
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CC2C)c1N
InChIInChI=1S/C13H18N2O/c1-8-4-3-5-11(12(8)14)13(16)15-7-10-6-9(10)2/h3-5,9-10H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyHQUYYWZAQOUIEL-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.96
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-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
CID 107035039
2-iodo-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115581693
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
CID 62060153
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3-methylbenzamide
CID 64923284
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
CID 106139307
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62321573
2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide
CID 65310154
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (CID 115597703) is 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is Cc1cccc(C(=O)NCC2CC2C)c1N.
What is the InChIKey of 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is HQUYYWZAQOUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-4-3-5-11(12(8)14)13(16)15-7-10-6-9(10)2/h3-5,9-10H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 115597703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).