2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide

C22H28N2O2 — CID 1318988

IUPAC2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-15(2)14-23-21(26)18-8-6-7-9-19(18)24-20(25)16-10-12-17(13-11-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyDQQXTLBNBCHUCD-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.62
Rot. Bonds5

About 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide

2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide (PubChem CID 1318988) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
PubChem CID1318988
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-15(2)14-23-21(26)18-8-6-7-9-19(18)24-20(25)16-10-12-17(13-11-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyDQQXTLBNBCHUCD-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1369781
2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92664179
2-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 4143005
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
N-(2-methylpropyl)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 55772351
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 126413403
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide (CID 1318988) is 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide?
The InChIKey is DQQXTLBNBCHUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15(2)14-23-21(26)18-8-6-7-9-19(18)24-20(25)16-10-12-17(13-11-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide?
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1318988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).