butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide

C20H33NO3 — CID 178048626

IUPACbutanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
SMILESCCCC(=O)O.CCCCNC(=O)CCCCc1ccc(C)cc1
InChIInChI=1S/C16H25NO.C4H8O2/c1-3-4-13-17-16(18)8-6-5-7-15-11-9-14(2)10-12-15;1-2-3-4(5)6/h9-12H,3-8,13H2,1-2H3,(H,17,18);2-3H2,1H3,(H,5,6)
InChIKeyARNZBTSBAJROBC-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.50
Rot. Bonds10

About butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide

butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide (PubChem CID 178048626) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide.

Molecular Properties

Compound Namebutanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
PubChem CID178048626
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Namebutanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
SMILESCCCC(=O)O.CCCCNC(=O)CCCCc1ccc(C)cc1
InChIInChI=1S/C16H25NO.C4H8O2/c1-3-4-13-17-16(18)8-6-5-7-15-11-9-14(2)10-12-15;1-2-3-4(5)6/h9-12H,3-8,13H2,1-2H3,(H,17,18);2-3H2,1H3,(H,5,6)
InChIKeyARNZBTSBAJROBC-UHFFFAOYSA-N
XLogP4.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
N-(4-phenylbutyl)hexanamide
CID 4985988
10-(4-methylphenyl)decanoic acid
CID 54262490
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
ethene;N-[(Z)-4-ethenylhex-4-enyl]-4-(4-methylphenyl)butanamide
CID 144925838
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821

Frequently Asked Questions

What is the IUPAC name of butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide?
The IUPAC name of butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide (CID 178048626) is butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide.
What is the SMILES notation for butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide?
The canonical SMILES for butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide is CCCC(=O)O.CCCCNC(=O)CCCCc1ccc(C)cc1.
What is the InChIKey of butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide?
The InChIKey is ARNZBTSBAJROBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C4H8O2/c1-3-4-13-17-16(18)8-6-5-7-15-11-9-14(2)10-12-15;1-2-3-4(5)6/h9-12H,3-8,13H2,1-2H3,(H,17,18);2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide?
butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide has a molecular weight of 335.49 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide is sourced from PubChem (CID 178048626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).