N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide

C20H25NO3 — CID 43886279

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-14-5-7-16(8-6-14)9-12-20(22)21-15(2)17-10-11-18(23-3)19(13-17)24-4/h5-8,10-11,13,15H,9,12H2,1-4H3,(H,21,22)
InChIKeyDQFJCGKMMRPEHU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.82
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 43886279) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID43886279
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-14-5-7-16(8-6-14)9-12-20(22)21-15(2)17-10-11-18(23-3)19(13-17)24-4/h5-8,10-11,13,15H,9,12H2,1-4H3,(H,21,22)
InChIKeyDQFJCGKMMRPEHU-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-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

N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-pyridin-4-ylpropanamide
CID 47055582
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
3-(4-cyanophenyl)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]propanamide
CID 46414728
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide
CID 71840874
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide (CID 43886279) is N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide is COc1ccc(C(C)NC(=O)CCc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is DQFJCGKMMRPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-5-7-16(8-6-14)9-12-20(22)21-15(2)17-10-11-18(23-3)19(13-17)24-4/h5-8,10-11,13,15H,9,12H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 43886279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).