3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide

C17H25FN2O2 — CID 58331959

IUPAC3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide
SMILESCCCC(NC(C)(C)C)C(=O)C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C17H25FN2O2/c1-6-7-14(20-17(3,4)5)15(21)16(22)19-12-9-8-11(2)13(18)10-12/h8-10,14,20H,6-7H2,1-5H3,(H,19,22)
InChIKeyIADBAHHQMABENG-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.20
Rot. Bonds6

About 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide

3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide (PubChem CID 58331959) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide
PubChem CID58331959
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide
SMILESCCCC(NC(C)(C)C)C(=O)C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C17H25FN2O2/c1-6-7-14(20-17(3,4)5)15(21)16(22)19-12-9-8-11(2)13(18)10-12/h8-10,14,20H,6-7H2,1-5H3,(H,19,22)
InChIKeyIADBAHHQMABENG-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide 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

3-amino-N-(3,4-difluorophenyl)-2-oxohexanamide;ethane
CID 145466111
N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
CID 7585173
2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
CID 79797233
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
2-[(3-fluoro-4-methylphenyl)methylamino]pentanoic acid
CID 65055420
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801719
3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide
CID 143418586
3-[(3-fluoro-4-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668647
N'-(3-fluoro-4-methylphenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498673
(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide
CID 142913478
(2R)-2-[(3-fluoro-4-methylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 103927550

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide (CID 58331959) is 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide is CCCC(NC(C)(C)C)C(=O)C(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide?
The InChIKey is IADBAHHQMABENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-6-7-14(20-17(3,4)5)15(21)16(22)19-12-9-8-11(2)13(18)10-12/h8-10,14,20H,6-7H2,1-5H3,(H,19,22).
What are the key properties of 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide?
3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide has a molecular weight of 308.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3-fluoro-4-methylphenyl)-2-oxohexanamide is sourced from PubChem (CID 58331959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).