3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide

C22H29N3O2 — CID 113117602

IUPAC3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)N(Cc1ccccc1)c1ccccc1)CCN(C)C
InChIInChI=1S/C22H29N3O2/c1-19(26)24(17-16-23(2)3)15-14-22(27)25(21-12-8-5-9-13-21)18-20-10-6-4-7-11-20/h4-13H,14-18H2,1-3H3
InChIKeyJJUYKALAQRRQPB-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.02
Rot. Bonds9

About 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide (PubChem CID 113117602) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
PubChem CID113117602
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
SMILESCC(=O)N(CCC(=O)N(Cc1ccccc1)c1ccccc1)CCN(C)C
InChIInChI=1S/C22H29N3O2/c1-19(26)24(17-16-23(2)3)15-14-22(27)25(21-12-8-5-9-13-21)18-20-10-6-4-7-11-20/h4-13H,14-18H2,1-3H3
InChIKeyJJUYKALAQRRQPB-UHFFFAOYSA-N
XLogP3.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide 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-[acetyl(furan-2-ylmethyl)amino]-N-benzyl-N-phenylpropanamide
CID 113118141
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-benzyl-N-phenylacetamide
CID 113161511
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113160477

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide?
The IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide (CID 113117602) is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide is CC(=O)N(CCC(=O)N(Cc1ccccc1)c1ccccc1)CCN(C)C.
What is the InChIKey of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide?
The InChIKey is JJUYKALAQRRQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-19(26)24(17-16-23(2)3)15-14-22(27)25(21-12-8-5-9-13-21)18-20-10-6-4-7-11-20/h4-13H,14-18H2,1-3H3.
What are the key properties of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide?
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide has a molecular weight of 367.49 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide is sourced from PubChem (CID 113117602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).