2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide

C20H38N2O4 — CID 23393718

IUPAC2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide
SMILESCCCCCC(NC(=O)C(C)CCC)C(O)C(=O)NC(CCC)C(C)=O
InChIInChI=1S/C20H38N2O4/c1-6-9-10-13-17(22-19(25)14(4)11-7-2)18(24)20(26)21-16(12-8-3)15(5)23/h14,16-18,24H,6-13H2,1-5H3,(H,21,26)(H,22,25)
InChIKeyAQCRHXFCQHYPEM-UHFFFAOYSA-N
MW370.53 g/mol
LogP2.72
Rot. Bonds14

About 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide

2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide (PubChem CID 23393718) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide
PubChem CID23393718
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide
SMILESCCCCCC(NC(=O)C(C)CCC)C(O)C(=O)NC(CCC)C(C)=O
InChIInChI=1S/C20H38N2O4/c1-6-9-10-13-17(22-19(25)14(4)11-7-2)18(24)20(26)21-16(12-8-3)15(5)23/h14,16-18,24H,6-13H2,1-5H3,(H,21,26)(H,22,25)
InChIKeyAQCRHXFCQHYPEM-UHFFFAOYSA-N
XLogP2.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide?
The IUPAC name of 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide (CID 23393718) is 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide.
What is the SMILES notation for 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide?
The canonical SMILES for 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide is CCCCCC(NC(=O)C(C)CCC)C(O)C(=O)NC(CCC)C(C)=O.
What is the InChIKey of 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide?
The InChIKey is AQCRHXFCQHYPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-6-9-10-13-17(22-19(25)14(4)11-7-2)18(24)20(26)21-16(12-8-3)15(5)23/h14,16-18,24H,6-13H2,1-5H3,(H,21,26)(H,22,25).
What are the key properties of 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide?
2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide has a molecular weight of 370.53 g/mol, XLogP of 2.72, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylpentanoylamino)-N-(2-oxohexan-3-yl)octanamide is sourced from PubChem (CID 23393718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).