N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide

C20H23NO2 — CID 3289780

IUPACN-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide
SMILESCC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C20H23NO2/c1-13-7-6-8-15(11-13)19(23)21-18-12-16(20(3,4)5)9-10-17(18)14(2)22/h6-12H,1-5H3,(H,21,23)
InChIKeyAKUQHKJYLURGCD-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.75
Rot. Bonds3

About N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide

N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide (PubChem CID 3289780) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide
PubChem CID3289780
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide
SMILESCC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C20H23NO2/c1-13-7-6-8-15(11-13)19(23)21-18-12-16(20(3,4)5)9-10-17(18)14(2)22/h6-12H,1-5H3,(H,21,23)
InChIKeyAKUQHKJYLURGCD-UHFFFAOYSA-N
XLogP4.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
N-(5-bromo-2-carbamothioylphenyl)-3-methylbenzamide
CID 107798708
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
3-[(3-methylbenzoyl)amino]phthalic acid
CID 17172174
5-[[3-carboxy-4-[(3-methylbenzoyl)amino]phenyl]methyl]-2-[(3-methylbenzoyl)amino]benzoic acid
CID 131976762

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide?
The IUPAC name of N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide (CID 3289780) is N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide is CC(=O)c1ccc(C(C)(C)C)cc1NC(=O)c1cccc(C)c1.
What is the InChIKey of N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide?
The InChIKey is AKUQHKJYLURGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13-7-6-8-15(11-13)19(23)21-18-12-16(20(3,4)5)9-10-17(18)14(2)22/h6-12H,1-5H3,(H,21,23).
What are the key properties of N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide?
N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-tert-butylphenyl)-3-methylbenzamide is sourced from PubChem (CID 3289780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).