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

C17H20N2O — CID 82092609

IUPAC4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(N(C)C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)13-6-10-16(11-7-13)19(3)17(20)14-4-8-15(18)9-5-14/h4-12H,18H2,1-3H3
InChIKeySLCJDGSMAASLLH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.67
Rot. Bonds3

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

4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 82092609) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
PubChem CID82092609
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(N(C)C(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)13-6-10-16(11-7-13)19(3)17(20)14-4-8-15(18)9-5-14/h4-12H,18H2,1-3H3
InChIKeySLCJDGSMAASLLH-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

N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 176647563
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
4-amino-N-methyl-N-(4-propylphenyl)benzamide
CID 115160987
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
N-(4-aminophenyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 28894383
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
4-amino-N-(3-bromophenyl)-N-methylbenzamide
CID 82094901
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide (CID 82092609) is 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(N(C)C(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is SLCJDGSMAASLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(2)13-6-10-16(11-7-13)19(3)17(20)14-4-8-15(18)9-5-14/h4-12H,18H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide?
4-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 4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 82092609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).