3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide

C19H23NO2 — CID 10803968

IUPAC3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-16-8-10-17(11-9-16)12-13-19(21)20-14-5-15-22-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3,(H,20,21)
InChIKeyWSKNHDCYPGFSSM-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.51
Rot. Bonds8

About 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide

3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide (PubChem CID 10803968) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
PubChem CID10803968
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-16-8-10-17(11-9-16)12-13-19(21)20-14-5-15-22-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3,(H,20,21)
InChIKeyWSKNHDCYPGFSSM-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
4-[3-[3-(4-methylphenoxy)propylamino]-3-oxopropyl]benzoic acid
CID 119182918
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
CID 108574231
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
4-[2-[4-[2-(4-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22682762
4-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]butanoic acid
CID 10157665
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536250

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide (CID 10803968) is 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide is Cc1ccc(CCC(=O)NCCCOc2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide?
The InChIKey is WSKNHDCYPGFSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-16-8-10-17(11-9-16)12-13-19(21)20-14-5-15-22-18-6-3-2-4-7-18/h2-4,6-11H,5,12-15H2,1H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide?
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide is sourced from PubChem (CID 10803968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).