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'}

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

(3S)-2-hydroxy-3-[[(2S)-2-methylpentanoyl]amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]octanamide
CID 59065694
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416
2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide
CID 134332061
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979
6-hydroxy-N-(2-oxooctan-3-yl)-2-(propan-2-ylamino)hexanamide
CID 166138006
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-amino-3-[(2-methyl-3-oxobutyl)disulfanyl]-N-(2-oxoheptan-3-yl)propanamide
CID 155415650
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245
CID 59124121
CID 59124121
(2R)-6-[bis[(2R)-2-hydroxypropyl]amino]-N-[(3S)-7-[bis[(2R)-2-hydroxypropyl]amino]-2-oxoheptan-3-yl]-2-methylhexanamide
CID 118606214
(3R)-3-methyloctan-2-one
CID 158725350
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765

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).