N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide

C16H26N2O7 — CID 166903543

IUPACN-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide
SMILESCOCC(O)C(=O)NC(CCC(=O)NC(CCC=O)C(C)=O)C(C)=O
InChIInChI=1S/C16H26N2O7/c1-10(20)12(5-4-8-19)17-15(23)7-6-13(11(2)21)18-16(24)14(22)9-25-3/h8,12-14,22H,4-7,9H2,1-3H3,(H,17,23)(H,18,24)
InChIKeyMBRDYCZDURBFFQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP-1.10
Rot. Bonds13

About N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide

N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide (PubChem CID 166903543) has the molecular formula C16H26N2O7 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide.

Molecular Properties

Compound NameN-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide
PubChem CID166903543
Molecular FormulaC16H26N2O7
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC NameN-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide
SMILESCOCC(O)C(=O)NC(CCC(=O)NC(CCC=O)C(C)=O)C(C)=O
InChIInChI=1S/C16H26N2O7/c1-10(20)12(5-4-8-19)17-15(23)7-6-13(11(2)21)18-16(24)14(22)9-25-3/h8,12-14,22H,4-7,9H2,1-3H3,(H,17,23)(H,18,24)
InChIKeyMBRDYCZDURBFFQ-UHFFFAOYSA-N
XLogP-1.10
TPSA138.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxohexan-3-yl)propanamide
CID 177190618
(2S)-2-acetamido-5-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 134482695
N-(2,6-dioxohexan-3-yl)-6-(sulfanylamino)hexanamide
CID 166964447
2-(butanoylamino)-5-oxopentanoic acid
CID 123955857
(2S)-2-(butanoylamino)-5-oxopentanoic acid
CID 174872507
4-(ethylamino)-5-oxohexanal
CID 155034018
18-[[4-[[6-amino-1-[(1-carboxy-4-oxobutyl)amino]-1-oxohexan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 153337469
3-methoxy-2-(octanoylamino)propanoic acid
CID 81077297
N,2-dimethyl-5-oxopentanamide
CID 20693317
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
(2S)-2-(3-carboxylatopropanoylamino)-5-oxopentanoate
CID 25244043
N-[6-[2-[[2-(hexadecanoylamino)-5-oxohexanoyl]amino]ethylamino]-2,6-dioxohexan-3-yl]hexadecanamide
CID 59449931

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide?
The IUPAC name of N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide (CID 166903543) is N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide.
What is the SMILES notation for N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide?
The canonical SMILES for N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide is COCC(O)C(=O)NC(CCC(=O)NC(CCC=O)C(C)=O)C(C)=O.
What is the InChIKey of N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide?
The InChIKey is MBRDYCZDURBFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O7/c1-10(20)12(5-4-8-19)17-15(23)7-6-13(11(2)21)18-16(24)14(22)9-25-3/h8,12-14,22H,4-7,9H2,1-3H3,(H,17,23)(H,18,24).
What are the key properties of N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide?
N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide has a molecular weight of 358.39 g/mol, XLogP of -1.10, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxohexan-3-yl)-4-[(2-hydroxy-3-methoxypropanoyl)amino]-5-oxohexanamide is sourced from PubChem (CID 166903543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).