N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide

C21H27NO2 — CID 132651078

IUPACN-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
SMILESCCC(NC(=O)CCCOc1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO2/c1-4-20(19-13-12-16(2)15-17(19)3)22-21(23)11-8-14-24-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,20H,4,8,11,14H2,1-3H3,(H,22,23)
InChIKeyTWSHQCBFBMZHAU-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.73
Rot. Bonds8

About N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide

N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide (PubChem CID 132651078) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
PubChem CID132651078
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
SMILESCCC(NC(=O)CCCOc1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NO2/c1-4-20(19-13-12-16(2)15-17(19)3)22-21(23)11-8-14-24-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,20H,4,8,11,14H2,1-3H3,(H,22,23)
InChIKeyTWSHQCBFBMZHAU-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.73
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

N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
CID 132652069
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 93487568
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
N-[1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 43909491
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390
N-[1-(2,4-dimethylphenyl)propyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide
CID 132673931
2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132653395
(2S,3S)-3-methyl-2-(4-phenoxybutanoylamino)pentanoic acid
CID 61138065
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2-methylphenyl)propyl]acetamide
CID 100759976
N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 132651072
N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132652053
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide (CID 132651078) is N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide is CCC(NC(=O)CCCOc1ccccc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide?
The InChIKey is TWSHQCBFBMZHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-20(19-13-12-16(2)15-17(19)3)22-21(23)11-8-14-24-18-9-6-5-7-10-18/h5-7,9-10,12-13,15,20H,4,8,11,14H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide?
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide has a molecular weight of 325.45 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide is sourced from PubChem (CID 132651078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).