N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide

C22H29NO3 — CID 143080123

IUPACN-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCCc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C22H29NO3/c1-5-26-20-11-10-19(14-21(20)25-4)15-22(24)23-12-6-7-18-9-8-16(2)17(3)13-18/h8-11,13-14H,5-7,12,15H2,1-4H3,(H,23,24)
InChIKeyLWUSOQIEGXUELW-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.00
Rot. Bonds9

About N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide

N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide (PubChem CID 143080123) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
PubChem CID143080123
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCCc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C22H29NO3/c1-5-26-20-11-10-19(14-21(20)25-4)15-22(24)23-12-6-7-18-9-8-16(2)17(3)13-18/h8-11,13-14H,5-7,12,15H2,1-4H3,(H,23,24)
InChIKeyLWUSOQIEGXUELW-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide 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

ethyl 3-amino-3-[4-[2-[3-(3,4-dimethylphenyl)propylamino]-2-oxoethyl]-2-methoxyphenoxy]propanoate
CID 69330570
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane
CID 22909771
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
1-(3-chloropropyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891565
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
CID 19797599
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
CID 120633106

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide (CID 143080123) is N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCCCc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide?
The InChIKey is LWUSOQIEGXUELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-26-20-11-10-19(14-21(20)25-4)15-22(24)23-12-6-7-18-9-8-16(2)17(3)13-18/h8-11,13-14H,5-7,12,15H2,1-4H3,(H,23,24).
What are the key properties of N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide?
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 143080123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).