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

C12H25N3O3 — CID 113116886

IUPAC3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCOCCN(CCC(=O)NCCN(C)C)C(C)=O
InChIInChI=1S/C12H25N3O3/c1-11(16)15(9-10-18-4)7-5-12(17)13-6-8-14(2)3/h5-10H2,1-4H3,(H,13,17)
InChIKeyPZPGPHGPOBUWCU-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.45
Rot. Bonds9

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

3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113116886) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113116886
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCOCCN(CCC(=O)NCCN(C)C)C(C)=O
InChIInChI=1S/C12H25N3O3/c1-11(16)15(9-10-18-4)7-5-12(17)13-6-8-14(2)3/h5-10H2,1-4H3,(H,13,17)
InChIKeyPZPGPHGPOBUWCU-UHFFFAOYSA-N
XLogP-0.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[acetyl(2-methoxyethyl)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-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818
3-[acetyl(2-methoxyethyl)amino]-N-prop-2-enylpropanamide
CID 113116872
N-[2-(dimethylamino)ethyl]-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137638
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
3-(dimethylamino)-N-[2-(2-methoxyethylamino)ethyl]propanamide
CID 83039390
3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115524
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide (CID 113116886) is 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide is COCCN(CCC(=O)NCCN(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is PZPGPHGPOBUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-11(16)15(9-10-18-4)7-5-12(17)13-6-8-14(2)3/h5-10H2,1-4H3,(H,13,17).
What are the key properties of 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide?
3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of -0.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113116886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).