3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide

C18H22N2O — CID 62876983

IUPAC3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
SMILESCc1ccc(N(C)C(=O)C(CN)c2ccccc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-13-9-10-17(14(2)11-13)20(3)18(21)16(12-19)15-7-5-4-6-8-15/h4-11,16H,12,19H2,1-3H3
InChIKeyHGSXDFXYDMDXKQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.01
Rot. Bonds4

About 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide

3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide (PubChem CID 62876983) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
PubChem CID62876983
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
SMILESCc1ccc(N(C)C(=O)C(CN)c2ccccc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-13-9-10-17(14(2)11-13)20(3)18(21)16(12-19)15-7-5-4-6-8-15/h4-11,16H,12,19H2,1-3H3
InChIKeyHGSXDFXYDMDXKQ-UHFFFAOYSA-N
XLogP3.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
CID 62876632
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
CID 62876984
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
2-amino-N-(2,4-dimethylphenyl)-N-methylhexanamide
CID 113227828
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide (CID 62876983) is 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide is Cc1ccc(N(C)C(=O)C(CN)c2ccccc2)c(C)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide?
The InChIKey is HGSXDFXYDMDXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-9-10-17(14(2)11-13)20(3)18(21)16(12-19)15-7-5-4-6-8-15/h4-11,16H,12,19H2,1-3H3.
What are the key properties of 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide?
3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 62876983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).