2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide

C18H22N2O — CID 80555053

IUPAC2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(C)C(=O)C(C)(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-13-5-11-16(12-6-13)20(4)17(21)18(2,3)14-7-9-15(19)10-8-14/h5-12H,19H2,1-4H3
InChIKeyFQLBCDFQYSMHFB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.52
Rot. Bonds3

About 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide

2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide (PubChem CID 80555053) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
PubChem CID80555053
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(C)C(=O)C(C)(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-13-5-11-16(12-6-13)20(4)17(21)18(2,3)14-7-9-15(19)10-8-14/h5-12H,19H2,1-4H3
InChIKeyFQLBCDFQYSMHFB-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide (CID 80555053) is 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide is Cc1ccc(N(C)C(=O)C(C)(C)c2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide?
The InChIKey is FQLBCDFQYSMHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-5-11-16(12-6-13)20(4)17(21)18(2,3)14-7-9-15(19)10-8-14/h5-12H,19H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide?
2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,2-dimethyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 80555053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).