N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide

C20H25NO3 — CID 141386663

IUPACN-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
SMILESCCCOc1ccc(CCNC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-3-13-24-18-10-9-17(14-19(18)23-2)11-12-21-20(22)15-16-7-5-4-6-8-16/h4-10,14H,3,11-13,15H2,1-2H3,(H,21,22)
InChIKeyPHKUKDSOGNWKRU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.39
Rot. Bonds9

About N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide

N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 141386663) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
PubChem CID141386663
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
SMILESCCCOc1ccc(CCNC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-3-13-24-18-10-9-17(14-19(18)23-2)11-12-21-20(22)15-16-7-5-4-6-8-16/h4-10,14H,3,11-13,15H2,1-2H3,(H,21,22)
InChIKeyPHKUKDSOGNWKRU-UHFFFAOYSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid
CID 92924035
3-methoxy-N'-[2-(4-phenylphenyl)acetyl]-4-propoxybenzohydrazide
CID 25443034
4-[2-(3-methoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoate
CID 9152045
butyl-[[3-methoxy-4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methyl]azanium
CID 7372063

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide (CID 141386663) is N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide is CCCOc1ccc(CCNC(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is PHKUKDSOGNWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-13-24-18-10-9-17(14-19(18)23-2)11-12-21-20(22)15-16-7-5-4-6-8-16/h4-10,14H,3,11-13,15H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide?
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 327.42 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 141386663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).