2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide

C16H28N2O4 — CID 158753511

IUPAC2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide
SMILESCC(=O)CCCC(=O)NC(C)C(=O)CC(C)C(=O)NC(C)C
InChIInChI=1S/C16H28N2O4/c1-10(2)17-16(22)11(3)9-14(20)13(5)18-15(21)8-6-7-12(4)19/h10-11,13H,6-9H2,1-5H3,(H,17,22)(H,18,21)
InChIKeyFXLYXKCSDOGAQA-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.37
Rot. Bonds10

About 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide

2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide (PubChem CID 158753511) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide
PubChem CID158753511
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide
SMILESCC(=O)CCCC(=O)NC(C)C(=O)CC(C)C(=O)NC(C)C
InChIInChI=1S/C16H28N2O4/c1-10(2)17-16(22)11(3)9-14(20)13(5)18-15(21)8-6-7-12(4)19/h10-11,13H,6-9H2,1-5H3,(H,17,22)(H,18,21)
InChIKeyFXLYXKCSDOGAQA-UHFFFAOYSA-N
XLogP1.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-oxo-N-propan-2-ylpentanamide
CID 88915731
N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide
CID 121265243
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
5-[4-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]butanoylamino]-2-methyl-4-oxo-N-[3-oxo-5-(4-oxopentylsulfanyl)pentan-2-yl]hexanamide
CID 160786863
N,N'-di(propan-2-yl)decanediamide
CID 58997511
5-oxo-5-[[(2S)-3-oxopentan-2-yl]amino]pentanoic acid
CID 89296216
tert-butyl (2S,5S)-5-[(6-methoxy-6-oxohexanoyl)amino]-2-methyl-4-oxohexanoate
CID 157455298
3-methyl-4-oxo-4-(6-oxoheptylamino)butanoic acid
CID 129183093
7-methyldecane-2,6-dione
CID 14545114
5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 20586207
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 143725442
2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]butanoic acid
CID 119223676

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide?
The IUPAC name of 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide (CID 158753511) is 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide.
What is the SMILES notation for 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide?
The canonical SMILES for 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide is CC(=O)CCCC(=O)NC(C)C(=O)CC(C)C(=O)NC(C)C.
What is the InChIKey of 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide?
The InChIKey is FXLYXKCSDOGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-10(2)17-16(22)11(3)9-14(20)13(5)18-15(21)8-6-7-12(4)19/h10-11,13H,6-9H2,1-5H3,(H,17,22)(H,18,21).
What are the key properties of 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide?
2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide has a molecular weight of 312.41 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-5-(5-oxohexanoylamino)-N-propan-2-ylhexanamide is sourced from PubChem (CID 158753511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).