N-tert-butyl-4-(2-methylbutanoylamino)benzamide

C16H24N2O2 — CID 46540195

IUPACN-tert-butyl-4-(2-methylbutanoylamino)benzamide
SMILESCCC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-6-11(2)14(19)17-13-9-7-12(8-10-13)15(20)18-16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyGRFSTPFFLSILAI-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.20
Rot. Bonds4

About N-tert-butyl-4-(2-methylbutanoylamino)benzamide

N-tert-butyl-4-(2-methylbutanoylamino)benzamide (PubChem CID 46540195) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methylbutanoylamino)benzamide
PubChem CID46540195
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-tert-butyl-4-(2-methylbutanoylamino)benzamide
SMILESCCC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-6-11(2)14(19)17-13-9-7-12(8-10-13)15(20)18-16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyGRFSTPFFLSILAI-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-4-(2-methylbutanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide
CID 47072533
N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
CID 62639345
methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
CID 46569462
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
CID 119956305
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834741
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
2-methyl-3-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-3-oxopropanoic acid
CID 122065354

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methylbutanoylamino)benzamide?
The IUPAC name of N-tert-butyl-4-(2-methylbutanoylamino)benzamide (CID 46540195) is N-tert-butyl-4-(2-methylbutanoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-4-(2-methylbutanoylamino)benzamide?
The canonical SMILES for N-tert-butyl-4-(2-methylbutanoylamino)benzamide is CCC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(2-methylbutanoylamino)benzamide?
The InChIKey is GRFSTPFFLSILAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-11(2)14(19)17-13-9-7-12(8-10-13)15(20)18-16(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-tert-butyl-4-(2-methylbutanoylamino)benzamide?
N-tert-butyl-4-(2-methylbutanoylamino)benzamide has a molecular weight of 276.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methylbutanoylamino)benzamide is sourced from PubChem (CID 46540195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).