N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide

C27H29N3O3 — CID 1370326

IUPACN-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccccc2)cc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C27H29N3O3/c1-27(2,3)30-26(33)21-16-22(28-24(31)14-19-10-6-4-7-11-19)18-23(17-21)29-25(32)15-20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyJMJBZYHZNOGDIS-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.58
Rot. Bonds7

About N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide

N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide (PubChem CID 1370326) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide
PubChem CID1370326
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccccc2)cc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C27H29N3O3/c1-27(2,3)30-26(33)21-16-22(28-24(31)14-19-10-6-4-7-11-19)18-23(17-21)29-25(32)15-20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyJMJBZYHZNOGDIS-UHFFFAOYSA-N
XLogP4.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 1369682
N-tert-butyl-3,5-bis[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 2901481
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887
N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide
CID 139348508
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 160938577
N-tert-butyl-2-(2-phenylacetyl)benzamide
CID 15197823
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
3-phenylpropyl 4-[3-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 28639431

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide (CID 1370326) is N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide is CC(C)(C)NC(=O)c1cc(NC(=O)Cc2ccccc2)cc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide?
The InChIKey is JMJBZYHZNOGDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-27(2,3)30-26(33)21-16-22(28-24(31)14-19-10-6-4-7-11-19)18-23(17-21)29-25(32)15-20-12-8-5-9-13-20/h4-13,16-18H,14-15H2,1-3H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide?
N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 1370326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).