3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide

C26H27N3O3 — CID 17226566

IUPAC3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-17-14-15-19(16-22(17)28-23(30)18-10-6-5-7-11-18)24(31)27-21-13-9-8-12-20(21)25(32)29-26(2,3)4/h5-16H,1-4H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyWTFQSJLITITEAL-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.03
Rot. Bonds5

About 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide

3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide (PubChem CID 17226566) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
PubChem CID17226566
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-17-14-15-19(16-22(17)28-23(30)18-10-6-5-7-11-18)24(31)27-21-13-9-8-12-20(21)25(32)29-26(2,3)4/h5-16H,1-4H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyWTFQSJLITITEAL-UHFFFAOYSA-N
XLogP5.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
CID 100710384
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
3-benzamido-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzamide
CID 75392218
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 8779150
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide (CID 17226566) is 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide?
The InChIKey is WTFQSJLITITEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-14-15-19(16-22(17)28-23(30)18-10-6-5-7-11-18)24(31)27-21-13-9-8-12-20(21)25(32)29-26(2,3)4/h5-16H,1-4H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide?
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 17226566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).