3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide

C16H25N3O2 — CID 113117534

IUPAC3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)CCN(C)C
InChIInChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)17-16(21)9-10-19(14(2)20)12-11-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeyCWSIEEIOFDCRPI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.73
Rot. Bonds7

About 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide (PubChem CID 113117534) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
PubChem CID113117534
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)CCN(C)C
InChIInChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)17-16(21)9-10-19(14(2)20)12-11-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeyCWSIEEIOFDCRPI-UHFFFAOYSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)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(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117893
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
CID 113122509
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-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
CID 113120428
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
CID 113117624
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122902

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide (CID 113117534) is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C)CCN(C)C.
What is the InChIKey of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide?
The InChIKey is CWSIEEIOFDCRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)17-16(21)9-10-19(14(2)20)12-11-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21).
What are the key properties of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide?
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113117534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).