3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H26ClN3O2 — CID 119719016

IUPAC3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc(CC(=O)N(C)C)cc1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14(19(21)16-7-5-4-6-8-16)20(25)22-17-11-9-15(10-12-17)13-18(24)23(2)3;/h4-12,14,19H,13,21H2,1-3H3,(H,22,25);1H
InChIKeyMCOCLBMUQTULIU-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.01
Rot. Bonds6

About 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119719016) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119719016
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc(CC(=O)N(C)C)cc1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14(19(21)16-7-5-4-6-8-16)20(25)22-17-11-9-15(10-12-17)13-18(24)23(2)3;/h4-12,14,19H,13,21H2,1-3H3,(H,22,25);1H
InChIKeyMCOCLBMUQTULIU-UHFFFAOYSA-N
XLogP3.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119868250
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748
3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
CID 119769536
2-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667262
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
(2S)-2-amino-4-methyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pentanamide;hydrochloride
CID 119739628
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
3-amino-2-methyl-3-phenyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]propanamide;dihydrochloride
CID 119869844
(2S)-2-amino-3,3-dimethyl-N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]butanamide;hydrochloride
CID 119739604
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119719016) is 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride is CC(C(=O)Nc1ccc(CC(=O)N(C)C)cc1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is MCOCLBMUQTULIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-14(19(21)16-7-5-4-6-8-16)20(25)22-17-11-9-15(10-12-17)13-18(24)23(2)3;/h4-12,14,19H,13,21H2,1-3H3,(H,22,25);1H.
What are the key properties of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119719016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).