2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide

C22H27N3O3 — CID 4069315

IUPAC2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C22H27N3O3/c1-5-17(21(28)25-22(2,3)4)23-20(27)16-13-9-10-14-18(16)24-19(26)15-11-7-6-8-12-15/h6-14,17H,5H2,1-4H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyNPHHGEJULQKIMS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.36
Rot. Bonds6

About 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide

2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide (PubChem CID 4069315) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
PubChem CID4069315
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C22H27N3O3/c1-5-17(21(28)25-22(2,3)4)23-20(27)16-13-9-10-14-18(16)24-19(26)15-11-7-6-8-12-15/h6-14,17H,5H2,1-4H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyNPHHGEJULQKIMS-UHFFFAOYSA-N
XLogP3.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-[1-(2,2-diphenylhydrazinyl)-1-oxobutan-2-yl]benzamide
CID 4096684
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide
CID 3481613
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
2-benzamido-N-(1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 3436159
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
N-[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112023
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
2-benzamido-N-(4-hydroxybutan-2-yl)benzamide
CID 3497950
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide (CID 4069315) is 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide is CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide?
The InChIKey is NPHHGEJULQKIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-17(21(28)25-22(2,3)4)23-20(27)16-13-9-10-14-18(16)24-19(26)15-11-7-6-8-12-15/h6-14,17H,5H2,1-4H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide?
2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 4069315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).