3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C18H26N2O4 — CID 113115368

IUPAC3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN(C(C)=O)C2CC2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-13(21)20(15-5-6-15)11-9-18(22)19-10-8-14-4-7-16(23-2)17(12-14)24-3/h4,7,12,15H,5-6,8-11H2,1-3H3,(H,19,22)
InChIKeyYQBYJBRQPHCDII-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.76
Rot. Bonds9

About 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 113115368) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID113115368
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN(C(C)=O)C2CC2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-13(21)20(15-5-6-15)11-9-18(22)19-10-8-14-4-7-16(23-2)17(12-14)24-3/h4,7,12,15H,5-6,8-11H2,1-3H3,(H,19,22)
InChIKeyYQBYJBRQPHCDII-UHFFFAOYSA-N
XLogP1.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)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

2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158352
3-(N-acetyl-3,5-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124689
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124170
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 42703855
N'-(2-acetamidoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506297
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113052128
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 42703860

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 113115368) is 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCN(C(C)=O)C2CC2)cc1OC.
What is the InChIKey of 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is YQBYJBRQPHCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(21)20(15-5-6-15)11-9-18(22)19-10-8-14-4-7-16(23-2)17(12-14)24-3/h4,7,12,15H,5-6,8-11H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113115368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).