N-(3-acetamidophenyl)-4-tert-butylbenzamide

C19H22N2O2 — CID 722339

IUPACN-(3-acetamidophenyl)-4-tert-butylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-13(22)20-16-6-5-7-17(12-16)21-18(23)14-8-10-15(11-9-14)19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyJDJDATZEGHGLLI-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.19
Rot. Bonds3

About N-(3-acetamidophenyl)-4-tert-butylbenzamide

N-(3-acetamidophenyl)-4-tert-butylbenzamide (PubChem CID 722339) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-tert-butylbenzamide
PubChem CID722339
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(3-acetamidophenyl)-4-tert-butylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H22N2O2/c1-13(22)20-16-6-5-7-17(12-16)21-18(23)14-8-10-15(11-9-14)19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyJDJDATZEGHGLLI-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 2246745
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
N-[(3-benzamidophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 1340575
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-tert-butylbenzamide (CID 722339) is N-(3-acetamidophenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-tert-butylbenzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-tert-butylbenzamide?
The InChIKey is JDJDATZEGHGLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(22)20-16-6-5-7-17(12-16)21-18(23)14-8-10-15(11-9-14)19(2,3)4/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-4-tert-butylbenzamide?
N-(3-acetamidophenyl)-4-tert-butylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 722339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).