6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide

C17H34N2O3 — CID 166138006

IUPAC6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide
SMILESCCCCCC(NC(=O)C(CCCCO)NC(C)C)C(C)=O
InChIInChI=1S/C17H34N2O3/c1-5-6-7-10-15(14(4)21)19-17(22)16(18-13(2)3)11-8-9-12-20/h13,15-16,18,20H,5-12H2,1-4H3,(H,19,22)
InChIKeyWSKGBLCSUMUUHY-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.17
Rot. Bonds13

About 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide

6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide (PubChem CID 166138006) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide
PubChem CID166138006
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide
SMILESCCCCCC(NC(=O)C(CCCCO)NC(C)C)C(C)=O
InChIInChI=1S/C17H34N2O3/c1-5-6-7-10-15(14(4)21)19-17(22)16(18-13(2)3)11-8-9-12-20/h13,15-16,18,20H,5-12H2,1-4H3,(H,19,22)
InChIKeyWSKGBLCSUMUUHY-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide
CID 134332061
2-(propan-2-ylamino)heptanoic acid
CID 43754297
2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
CID 58871564
4-hydroxy-N-propan-2-yl-2-(propan-2-ylamino)butanamide
CID 15486717
(3R)-3-methyloctan-2-one
CID 158725350
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxoheptan-2-yl]amino]-1-oxoheptan-2-yl]heptanamide
CID 59033718
3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide
CID 91405705
2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide
CID 23393718
2-amino-3-[(2-methyl-3-oxobutyl)disulfanyl]-N-(2-oxoheptan-3-yl)propanamide
CID 155415650

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide?
The IUPAC name of 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide (CID 166138006) is 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide.
What is the SMILES notation for 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide?
The canonical SMILES for 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide is CCCCCC(NC(=O)C(CCCCO)NC(C)C)C(C)=O.
What is the InChIKey of 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide?
The InChIKey is WSKGBLCSUMUUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-5-6-7-10-15(14(4)21)19-17(22)16(18-13(2)3)11-8-9-12-20/h13,15-16,18,20H,5-12H2,1-4H3,(H,19,22).
What are the key properties of 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide?
6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide has a molecular weight of 314.47 g/mol, XLogP of 2.17, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 166138006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).