2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide

C17H20N2O — CID 82092607

IUPAC2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(N(C)C(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)13-8-10-14(11-9-13)19(3)17(20)15-6-4-5-7-16(15)18/h4-12H,18H2,1-3H3
InChIKeyIYTNWGYJOPPNPY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.67
Rot. Bonds3

About 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide

2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 82092607) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
PubChem CID82092607
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(N(C)C(=O)c2ccccc2N)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)13-8-10-14(11-9-13)19(3)17(20)15-6-4-5-7-16(15)18/h4-12H,18H2,1-3H3
InChIKeyIYTNWGYJOPPNPY-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.67
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

4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
2-amino-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 140987433
2-aminobenzoic acid;1-methyl-4-propan-2-ylbenzene
CID 174500943
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
2-amino-N-(2,6-difluorophenyl)-N-methylbenzamide
CID 82090708
N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 176647563
3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
CID 106934244
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
2-amino-N-(2,6-dichloro-3-pyridinyl)-N-methylbenzamide
CID 118279157

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide (CID 82092607) is 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(N(C)C(=O)c2ccccc2N)cc1.
What is the InChIKey of 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is IYTNWGYJOPPNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(2)13-8-10-14(11-9-13)19(3)17(20)15-6-4-5-7-16(15)18/h4-12H,18H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide?
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.67, 3 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-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 82092607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).