2-amino-N-methyl-N-propan-2-ylbenzamide

C11H16N2O — CID 16783285

IUPAC2-amino-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccccc1N
InChIInChI=1S/C11H16N2O/c1-8(2)13(3)11(14)9-6-4-5-7-10(9)12/h4-8H,12H2,1-3H3
InChIKeyYHVGSVVYYZKYLK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-N-methyl-N-propan-2-ylbenzamide

2-amino-N-methyl-N-propan-2-ylbenzamide (PubChem CID 16783285) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-propan-2-ylbenzamide
PubChem CID16783285
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccccc1N
InChIInChI=1S/C11H16N2O/c1-8(2)13(3)11(14)9-6-4-5-7-10(9)12/h4-8H,12H2,1-3H3
InChIKeyYHVGSVVYYZKYLK-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 113366949
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
2,3-diamino-N,N-di(propan-2-yl)benzamide
CID 54534997
2-amino-N,N-dipropylbenzamide
CID 16769117

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-N-methyl-N-propan-2-ylbenzamide (CID 16783285) is 2-amino-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is YHVGSVVYYZKYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)13(3)11(14)9-6-4-5-7-10(9)12/h4-8H,12H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-propan-2-ylbenzamide?
2-amino-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 192.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 16783285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).