3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide

C20H26N2O — CID 119681290

IUPAC3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
SMILESCCc1ccc(CN(C)C(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-4-16-10-12-17(13-11-16)14-22(3)20(23)15(2)19(21)18-8-6-5-7-9-18/h5-13,15,19H,4,14,21H2,1-3H3
InChIKeyMLNGUHZQSCIXBI-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.54
Rot. Bonds6

About 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide

3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide (PubChem CID 119681290) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
PubChem CID119681290
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
SMILESCCc1ccc(CN(C)C(=O)C(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-4-16-10-12-17(13-11-16)14-22(3)20(23)15(2)19(21)18-8-6-5-7-9-18/h5-13,15,19H,4,14,21H2,1-3H3
InChIKeyMLNGUHZQSCIXBI-UHFFFAOYSA-N
XLogP3.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 80552053
3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
CID 119688833
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-phenylpropanamide
CID 119835324
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839
3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 119886219

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide (CID 119681290) is 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide is CCc1ccc(CN(C)C(=O)C(C)C(N)c2ccccc2)cc1.
What is the InChIKey of 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is MLNGUHZQSCIXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-16-10-12-17(13-11-16)14-22(3)20(23)15(2)19(21)18-8-6-5-7-9-18/h5-13,15,19H,4,14,21H2,1-3H3.
What are the key properties of 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide?
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 119681290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).