3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide

C20H27N3O — CID 119836141

IUPAC3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC(CN(C)C)c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-15(19(21)17-12-8-5-9-13-17)20(24)22-18(14-23(2)3)16-10-6-4-7-11-16/h4-13,15,18-19H,14,21H2,1-3H3,(H,22,24)
InChIKeyZGCRIBJKIUQJAL-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.74
Rot. Bonds7

About 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119836141) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
PubChem CID119836141
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NC(CN(C)C)c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-15(19(21)17-12-8-5-9-13-17)20(24)22-18(14-23(2)3)16-10-6-4-7-11-16/h4-13,15,18-19H,14,21H2,1-3H3,(H,22,24)
InChIKeyZGCRIBJKIUQJAL-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884889
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methyl-3-phenylpropanamide
CID 103109133
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
CID 80552726
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide (CID 119836141) is 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NC(CN(C)C)c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is ZGCRIBJKIUQJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(19(21)17-12-8-5-9-13-17)20(24)22-18(14-23(2)3)16-10-6-4-7-11-16/h4-13,15,18-19H,14,21H2,1-3H3,(H,22,24).
What are the key properties of 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 325.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119836141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).