3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride

C21H30Cl2N4O2 — CID 119868250

IUPAC3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCC(C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H28N4O2.2ClH/c1-15(20(22)16-7-5-4-6-8-16)21(27)24-18-11-9-17(10-12-18)23-19(26)13-14-25(2)3;;/h4-12,15,20H,13-14,22H2,1-3H3,(H,23,26)(H,24,27);2*1H
InChIKeyCEFIPKVQFOTEDH-UHFFFAOYSA-N
MW441.40 g/mol
LogP3.69
Rot. Bonds8

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

3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride (PubChem CID 119868250) has the molecular formula C21H30Cl2N4O2 and a molecular weight of 441.40 g/mol. Its IUPAC name is 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride
PubChem CID119868250
Molecular FormulaC21H30Cl2N4O2
Molecular Weight441.40 g/mol
Exact Mass440.17
IUPAC Name3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCC(C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H28N4O2.2ClH/c1-15(20(22)16-7-5-4-6-8-16)21(27)24-18-11-9-17(10-12-18)23-19(26)13-14-25(2)3;;/h4-12,15,20H,13-14,22H2,1-3H3,(H,23,26)(H,24,27);2*1H
InChIKeyCEFIPKVQFOTEDH-UHFFFAOYSA-N
XLogP3.69
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride 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-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119719016
2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-methylpentanamide;dihydrochloride
CID 119868286
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276
3-amino-2-methyl-N-[4-(methylsulfanylmethyl)phenyl]-3-phenylpropanamide
CID 119769536
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
(2S)-2-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-4-methylsulfanylbutanamide
CID 119868241
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride (CID 119868250) is 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride is CC(C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is CEFIPKVQFOTEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.2ClH/c1-15(20(22)16-7-5-4-6-8-16)21(27)24-18-11-9-17(10-12-18)23-19(26)13-14-25(2)3;;/h4-12,15,20H,13-14,22H2,1-3H3,(H,23,26)(H,24,27);2*1H.
What are the key properties of 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 441.40 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[3-(dimethylamino)propanoylamino]phenyl]-2-methyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119868250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).