4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide

C23H28N2O4 — CID 60602890

IUPAC4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C23H28N2O4/c1-3-4-5-14-29-19-10-8-17(9-11-19)21(26)12-13-22(27)25-20-15-18(23(24)28)7-6-16(20)2/h6-11,15H,3-5,12-14H2,1-2H3,(H2,24,28)(H,25,27)
InChIKeyGJXPFOCNCKKAIP-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.26
Rot. Bonds11

About 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide

4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide (PubChem CID 60602890) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide.

Molecular Properties

Compound Name4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide
PubChem CID60602890
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2cc(C(N)=O)ccc2C)cc1
InChIInChI=1S/C23H28N2O4/c1-3-4-5-14-29-19-10-8-17(9-11-19)21(26)12-13-22(27)25-20-15-18(23(24)28)7-6-16(20)2/h6-11,15H,3-5,12-14H2,1-2H3,(H2,24,28)(H,25,27)
InChIKeyGJXPFOCNCKKAIP-UHFFFAOYSA-N
XLogP4.26
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16503896
N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 60605434
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide
CID 60602931
4-oxo-4-(4-pentoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 30587851
4-butoxy-N-[2-(2,5-dimethylanilino)-2-oxoethyl]benzamide
CID 9314100
N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 32603422

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide?
The IUPAC name of 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide (CID 60602890) is 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide.
What is the SMILES notation for 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide?
The canonical SMILES for 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide is CCCCCOc1ccc(C(=O)CCC(=O)Nc2cc(C(N)=O)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide?
The InChIKey is GJXPFOCNCKKAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-4-5-14-29-19-10-8-17(9-11-19)21(26)12-13-22(27)25-20-15-18(23(24)28)7-6-16(20)2/h6-11,15H,3-5,12-14H2,1-2H3,(H2,24,28)(H,25,27).
What are the key properties of 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide?
4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide is sourced from PubChem (CID 60602890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).