N-(6,10-dioxoundecyl)-2-methoxyacetamide

C14H25NO4 — CID 167591874

IUPACN-(6,10-dioxoundecyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCC(=O)CCCC(C)=O
InChIInChI=1S/C14H25NO4/c1-12(16)7-6-9-13(17)8-4-3-5-10-15-14(18)11-19-2/h3-11H2,1-2H3,(H,15,18)
InChIKeyKWDHUNKTSINOCD-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.64
Rot. Bonds12

About N-(6,10-dioxoundecyl)-2-methoxyacetamide

N-(6,10-dioxoundecyl)-2-methoxyacetamide (PubChem CID 167591874) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(6,10-dioxoundecyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(6,10-dioxoundecyl)-2-methoxyacetamide
PubChem CID167591874
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC NameN-(6,10-dioxoundecyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCC(=O)CCCC(C)=O
InChIInChI=1S/C14H25NO4/c1-12(16)7-6-9-13(17)8-4-3-5-10-15-14(18)11-19-2/h3-11H2,1-2H3,(H,15,18)
InChIKeyKWDHUNKTSINOCD-UHFFFAOYSA-N
XLogP1.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide
CID 59567253
6-methoxy-5-oxo-N-[3-oxo-3-(4-oxopentylamino)propyl]hexanamide
CID 59567294
8,13-dioxo-13-(6-oxoheptylamino)tridecanoic acid
CID 159429348
6-methoxy-5-oxo-N-(3-oxobutyl)hexanamide
CID 59567342
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
2-methoxy-N-nonylacetamide
CID 86922058
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
6-O-[2-[2-[2-[9-[[2-(2-methoxyacetyl)oxyacetyl]amino]-2-oxononoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] 1-O-[2-oxo-2-(2-oxopropoxy)ethyl] hexanedioate
CID 160524847
N-(11-oxododecyl)-2-propoxyacetamide
CID 20692360
N-(12-oxotridecyl)propanamide
CID 171540592
N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
CID 163400462
N-(8-oxononyl)acetamide
CID 58114719

Frequently Asked Questions

What is the IUPAC name of N-(6,10-dioxoundecyl)-2-methoxyacetamide?
The IUPAC name of N-(6,10-dioxoundecyl)-2-methoxyacetamide (CID 167591874) is N-(6,10-dioxoundecyl)-2-methoxyacetamide.
What is the SMILES notation for N-(6,10-dioxoundecyl)-2-methoxyacetamide?
The canonical SMILES for N-(6,10-dioxoundecyl)-2-methoxyacetamide is COCC(=O)NCCCCCC(=O)CCCC(C)=O.
What is the InChIKey of N-(6,10-dioxoundecyl)-2-methoxyacetamide?
The InChIKey is KWDHUNKTSINOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-12(16)7-6-9-13(17)8-4-3-5-10-15-14(18)11-19-2/h3-11H2,1-2H3,(H,15,18).
What are the key properties of N-(6,10-dioxoundecyl)-2-methoxyacetamide?
N-(6,10-dioxoundecyl)-2-methoxyacetamide has a molecular weight of 271.36 g/mol, XLogP of 1.64, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,10-dioxoundecyl)-2-methoxyacetamide is sourced from PubChem (CID 167591874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).