3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide

C20H33N3O2 — CID 113117900

IUPAC3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(CCCN(C)C)C(C)=O
InChIInChI=1S/C20H33N3O2/c1-6-17-10-8-11-18(7-2)20(17)21-19(25)12-15-23(16(3)24)14-9-13-22(4)5/h8,10-11H,6-7,9,12-15H2,1-5H3,(H,21,25)
InChIKeyXLZIYYBRXLBWBI-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.94
Rot. Bonds10

About 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide

3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide (PubChem CID 113117900) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
PubChem CID113117900
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCN(CCCN(C)C)C(C)=O
InChIInChI=1S/C20H33N3O2/c1-6-17-10-8-11-18(7-2)20(17)21-19(25)12-15-23(16(3)24)14-9-13-22(4)5/h8,10-11H,6-7,9,12-15H2,1-5H3,(H,21,25)
InChIKeyXLZIYYBRXLBWBI-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide 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-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117893
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
3-[acetyl(3-phenylpropyl)amino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 113122274
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113118645
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113117613
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113117902
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide (CID 113117900) is 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCN(CCCN(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide?
The InChIKey is XLZIYYBRXLBWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-6-17-10-8-11-18(7-2)20(17)21-19(25)12-15-23(16(3)24)14-9-13-22(4)5/h8,10-11H,6-7,9,12-15H2,1-5H3,(H,21,25).
What are the key properties of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide?
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide has a molecular weight of 347.50 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 113117900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).