3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide

C21H27NO3 — CID 31590171

IUPAC3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCCc1cc(C)ccc1OC
InChIInChI=1S/C21H27NO3/c1-4-25-20-8-6-5-7-17(20)10-12-21(23)22-14-13-18-15-16(2)9-11-19(18)24-3/h5-9,11,15H,4,10,12-14H2,1-3H3,(H,22,23)
InChIKeyWRVAEMRXWNINIA-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.69
Rot. Bonds9

About 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide

3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 31590171) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
PubChem CID31590171
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCCc1cc(C)ccc1OC
InChIInChI=1S/C21H27NO3/c1-4-25-20-8-6-5-7-17(20)10-12-21(23)22-14-13-18-15-16(2)9-11-19(18)24-3/h5-9,11,15H,4,10,12-14H2,1-3H3,(H,22,23)
InChIKeyWRVAEMRXWNINIA-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019924
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110641432
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide (CID 31590171) is 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide is CCOc1ccccc1CCC(=O)NCCc1cc(C)ccc1OC.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is WRVAEMRXWNINIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-25-20-8-6-5-7-17(20)10-12-21(23)22-14-13-18-15-16(2)9-11-19(18)24-3/h5-9,11,15H,4,10,12-14H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide?
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 31590171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).