4-benzoyl-N-(2-methylbutyl)benzamide

C19H20NO2- — CID 90855239

IUPAC4-benzoyl-N-(2-methylbutyl)benzamide
SMILESC[CH-]C(C)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20NO2/c1-3-14(2)13-20-19(22)17-11-9-16(10-12-17)18(21)15-7-5-4-6-8-15/h3-12,14H,13H2,1-2H3,(H,20,22)/q-1
InChIKeyYDNSXLLYEQSVBA-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.51
Rot. Bonds6

About 4-benzoyl-N-(2-methylbutyl)benzamide

4-benzoyl-N-(2-methylbutyl)benzamide (PubChem CID 90855239) has the molecular formula C19H20NO2- and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-benzoyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(2-methylbutyl)benzamide
PubChem CID90855239
Molecular FormulaC19H20NO2-
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name4-benzoyl-N-(2-methylbutyl)benzamide
SMILESC[CH-]C(C)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20NO2/c1-3-14(2)13-20-19(22)17-11-9-16(10-12-17)18(21)15-7-5-4-6-8-15/h3-12,14H,13H2,1-2H3,(H,20,22)/q-1
InChIKeyYDNSXLLYEQSVBA-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
4-benzamido-3-methylbutanoic acid
CID 81064617
4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide
CID 87793057
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-(2-bromo-4-methylpentyl)benzamide
CID 107157861
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 58554755
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 4-benzoyl-N-(2-methylbutyl)benzamide (CID 90855239) is 4-benzoyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 4-benzoyl-N-(2-methylbutyl)benzamide is C[CH-]C(C)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-(2-methylbutyl)benzamide?
The InChIKey is YDNSXLLYEQSVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO2/c1-3-14(2)13-20-19(22)17-11-9-16(10-12-17)18(21)15-7-5-4-6-8-15/h3-12,14H,13H2,1-2H3,(H,20,22)/q-1.
What are the key properties of 4-benzoyl-N-(2-methylbutyl)benzamide?
4-benzoyl-N-(2-methylbutyl)benzamide has a molecular weight of 294.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 90855239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).