N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide

C21H25N3O3 — CID 2938137

IUPACN-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-5-18(25)22-15-12-10-14(11-13-15)19(26)23-17-9-7-6-8-16(17)20(27)24-21(2,3)4/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeySDUKNEYXTYZJTL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.82
Rot. Bonds5

About N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide

N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide (PubChem CID 2938137) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
PubChem CID2938137
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
SMILESCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-5-18(25)22-15-12-10-14(11-13-15)19(26)23-17-9-7-6-8-16(17)20(27)24-21(2,3)4/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeySDUKNEYXTYZJTL-UHFFFAOYSA-N
XLogP3.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
2-[(4-methoxybenzoyl)amino]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55655999
N-tert-butyl-2-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 21367377
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate
CID 17341399
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
CID 4069315
N-tert-butyl-2-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 21173543
N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
CID 100710384
2-[[4-(hexanoylamino)benzoyl]amino]benzoic acid
CID 3756720
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide (CID 2938137) is N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide is CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide?
The InChIKey is SDUKNEYXTYZJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-18(25)22-15-12-10-14(11-13-15)19(26)23-17-9-7-6-8-16(17)20(27)24-21(2,3)4/h6-13H,5H2,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide?
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 2938137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).