3-methyl-N-[4-(pentylamino)phenyl]benzamide

C19H24N2O — CID 112985190

IUPAC3-methyl-N-[4-(pentylamino)phenyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-3-4-5-13-20-17-9-11-18(12-10-17)21-19(22)16-8-6-7-15(2)14-16/h6-12,14,20H,3-5,13H2,1-2H3,(H,21,22)
InChIKeyPUZFHQUMAQEGEW-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.85
Rot. Bonds7

About 3-methyl-N-[4-(pentylamino)phenyl]benzamide

3-methyl-N-[4-(pentylamino)phenyl]benzamide (PubChem CID 112985190) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-methyl-N-[4-(pentylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(pentylamino)phenyl]benzamide
PubChem CID112985190
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-methyl-N-[4-(pentylamino)phenyl]benzamide
SMILESCCCCCNc1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-3-4-5-13-20-17-9-11-18(12-10-17)21-19(22)16-8-6-7-15(2)14-16/h6-12,14,20H,3-5,13H2,1-2H3,(H,21,22)
InChIKeyPUZFHQUMAQEGEW-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.85
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-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224
3-methyl-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980083
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309
3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
CID 54840407
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(pentylamino)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-(pentylamino)phenyl]benzamide (CID 112985190) is 3-methyl-N-[4-(pentylamino)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(pentylamino)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(pentylamino)phenyl]benzamide is CCCCCNc1ccc(NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[4-(pentylamino)phenyl]benzamide?
The InChIKey is PUZFHQUMAQEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-4-5-13-20-17-9-11-18(12-10-17)21-19(22)16-8-6-7-15(2)14-16/h6-12,14,20H,3-5,13H2,1-2H3,(H,21,22).
What are the key properties of 3-methyl-N-[4-(pentylamino)phenyl]benzamide?
3-methyl-N-[4-(pentylamino)phenyl]benzamide has a molecular weight of 296.41 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(pentylamino)phenyl]benzamide is sourced from PubChem (CID 112985190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).