3-benzamido-4-methyl-N-pentylbenzamide

C20H24N2O2 — CID 17226355

IUPAC3-benzamido-4-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-3-4-8-13-21-19(23)17-12-11-15(2)18(14-17)22-20(24)16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHLOYPHXJUPZIEO-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.17
Rot. Bonds7

About 3-benzamido-4-methyl-N-pentylbenzamide

3-benzamido-4-methyl-N-pentylbenzamide (PubChem CID 17226355) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-pentylbenzamide
PubChem CID17226355
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-benzamido-4-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-3-4-8-13-21-19(23)17-12-11-15(2)18(14-17)22-20(24)16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHLOYPHXJUPZIEO-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.17
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-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
CID 46410167
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107229

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-pentylbenzamide?
The IUPAC name of 3-benzamido-4-methyl-N-pentylbenzamide (CID 17226355) is 3-benzamido-4-methyl-N-pentylbenzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-pentylbenzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-pentylbenzamide is CCCCCNC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-4-methyl-N-pentylbenzamide?
The InChIKey is HLOYPHXJUPZIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-4-8-13-21-19(23)17-12-11-15(2)18(14-17)22-20(24)16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-benzamido-4-methyl-N-pentylbenzamide?
3-benzamido-4-methyl-N-pentylbenzamide has a molecular weight of 324.42 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-pentylbenzamide is sourced from PubChem (CID 17226355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).