5-[(2-tert-butylbenzoyl)amino]hexanoic acid

C17H25NO3 — CID 82845775

IUPAC5-[(2-tert-butylbenzoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H25NO3/c1-12(8-7-11-15(19)20)18-16(21)13-9-5-6-10-14(13)17(2,3)4/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyFDZKRORSIVBLTB-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.36
Rot. Bonds6

About 5-[(2-tert-butylbenzoyl)amino]hexanoic acid

5-[(2-tert-butylbenzoyl)amino]hexanoic acid (PubChem CID 82845775) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-[(2-tert-butylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-tert-butylbenzoyl)amino]hexanoic acid
PubChem CID82845775
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-[(2-tert-butylbenzoyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H25NO3/c1-12(8-7-11-15(19)20)18-16(21)13-9-5-6-10-14(13)17(2,3)4/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyFDZKRORSIVBLTB-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
5-[(3-bromo-2-chlorobenzoyl)amino]hexanoic acid
CID 113402887
5-[(2-prop-2-enoxybenzoyl)amino]hexanoic acid
CID 82845336
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 113351911
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide
CID 22104724
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butylbenzoyl)amino]hexanoic acid?
The IUPAC name of 5-[(2-tert-butylbenzoyl)amino]hexanoic acid (CID 82845775) is 5-[(2-tert-butylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-tert-butylbenzoyl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-tert-butylbenzoyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 5-[(2-tert-butylbenzoyl)amino]hexanoic acid?
The InChIKey is FDZKRORSIVBLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(8-7-11-15(19)20)18-16(21)13-9-5-6-10-14(13)17(2,3)4/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 5-[(2-tert-butylbenzoyl)amino]hexanoic acid?
5-[(2-tert-butylbenzoyl)amino]hexanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butylbenzoyl)amino]hexanoic acid is sourced from PubChem (CID 82845775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).