3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide

C18H22N2O — CID 80546370

IUPAC3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
SMILESCCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-14-9-11-16(12-10-14)20-18(21)13(2)17(19)15-7-5-4-6-8-15/h4-13,17H,3,19H2,1-2H3,(H,20,21)
InChIKeyBHKBTBIIYCJFFY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.52
Rot. Bonds5

About 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide

3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide (PubChem CID 80546370) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
PubChem CID80546370
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
SMILESCCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-3-14-9-11-16(12-10-14)20-18(21)13(2)17(19)15-7-5-4-6-8-15/h4-13,17H,3,19H2,1-2H3,(H,20,21)
InChIKeyBHKBTBIIYCJFFY-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
CID 119769536
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119719016
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738242
3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119868250
ethyl 2-[[4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]benzoyl]amino]propanoate
CID 119806767
3-amino-2-methyl-3-phenyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]propanamide;dihydrochloride
CID 119869844
3-amino-N-[2-(3-ethylanilino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 119763802
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
3-amino-N-(3-hydroxy-4-methylphenyl)-2-methyl-3-phenylpropanamide
CID 107701634

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide (CID 80546370) is 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide is CCc1ccc(NC(=O)C(C)C(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide?
The InChIKey is BHKBTBIIYCJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-14-9-11-16(12-10-14)20-18(21)13(2)17(19)15-7-5-4-6-8-15/h4-13,17H,3,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 80546370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).