N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide

C22H29NO2 — CID 132652069

IUPACN-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
SMILESCCC(NC(=O)CCCOc1ccc(C)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H29NO2/c1-5-21(19-11-10-17(3)18(4)15-19)23-22(24)7-6-14-25-20-12-8-16(2)9-13-20/h8-13,15,21H,5-7,14H2,1-4H3,(H,23,24)
InChIKeyLGUXZOYYTIOLKE-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.04
Rot. Bonds8

About N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide

N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide (PubChem CID 132652069) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
PubChem CID132652069
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
SMILESCCC(NC(=O)CCCOc1ccc(C)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C22H29NO2/c1-5-21(19-11-10-17(3)18(4)15-19)23-22(24)7-6-14-25-20-12-8-16(2)9-13-20/h8-13,15,21H,5-7,14H2,1-4H3,(H,23,24)
InChIKeyLGUXZOYYTIOLKE-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.04
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-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
N-[1-(2,4-dimethylphenyl)propyl]-4-phenoxybutanamide
CID 132651078
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
2-(2,4-dimethylphenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133202118
2-(3,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 132760177
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132665209
3-(3,4-dimethylphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 100549740
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132669688
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide (CID 132652069) is N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide is CCC(NC(=O)CCCOc1ccc(C)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is LGUXZOYYTIOLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-21(19-11-10-17(3)18(4)15-19)23-22(24)7-6-14-25-20-12-8-16(2)9-13-20/h8-13,15,21H,5-7,14H2,1-4H3,(H,23,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide?
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 339.48 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 132652069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).