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

C17H27N3O2 — CID 113118385

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)Cc1ccccc1C
InChIInChI=1S/C17H27N3O2/c1-14-7-5-6-8-16(14)13-20(15(2)21)11-9-17(22)18-10-12-19(3)4/h5-8H,9-13H2,1-4H3,(H,18,22)
InChIKeyOFUBDCGNFPXOEV-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.41
Rot. Bonds8

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

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113118385) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113118385
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)Cc1ccccc1C
InChIInChI=1S/C17H27N3O2/c1-14-7-5-6-8-16(14)13-20(15(2)21)11-9-17(22)18-10-12-19(3)4/h5-8H,9-13H2,1-4H3,(H,18,22)
InChIKeyOFUBDCGNFPXOEV-UHFFFAOYSA-N
XLogP1.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]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-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
CID 113118534
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113160407

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide (CID 113118385) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCC(=O)NCCN(C)C)Cc1ccccc1C.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is OFUBDCGNFPXOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-7-5-6-8-16(14)13-20(15(2)21)11-9-17(22)18-10-12-19(3)4/h5-8H,9-13H2,1-4H3,(H,18,22).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113118385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).