N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide

C19H22N2O3 — CID 2185682

IUPACN-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1
InChIInChI=1S/C19H22N2O3/c1-14-7-6-8-15(13-14)18(23)21-17-10-3-2-9-16(17)19(24)20-11-4-5-12-22/h2-3,6-10,13,22H,4-5,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyDICWLFLYSFJZPY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds7

About N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide

N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide (PubChem CID 2185682) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide
PubChem CID2185682
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1
InChIInChI=1S/C19H22N2O3/c1-14-7-6-8-15(13-14)18(23)21-17-10-3-2-9-16(17)19(24)20-11-4-5-12-22/h2-3,6-10,13,22H,4-5,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeyDICWLFLYSFJZPY-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide?
The IUPAC name of N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide (CID 2185682) is N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCCCO)c1.
What is the InChIKey of N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide?
The InChIKey is DICWLFLYSFJZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-7-6-8-15(13-14)18(23)21-17-10-3-2-9-16(17)19(24)20-11-4-5-12-22/h2-3,6-10,13,22H,4-5,11-12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide?
N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-[(3-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 2185682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).