2-methoxy-3-oxoundecanamide

C12H23NO3 — CID 91551788

IUPAC2-methoxy-3-oxoundecanamide
SMILESCCCCCCCCC(=O)C(OC)C(N)=O
InChIInChI=1S/C12H23NO3/c1-3-4-5-6-7-8-9-10(14)11(16-2)12(13)15/h11H,3-9H2,1-2H3,(H2,13,15)
InChIKeyQBDOFIMEDYHAJQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.81
Rot. Bonds10

About 2-methoxy-3-oxoundecanamide

2-methoxy-3-oxoundecanamide (PubChem CID 91551788) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methoxy-3-oxoundecanamide.

Molecular Properties

Compound Name2-methoxy-3-oxoundecanamide
PubChem CID91551788
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methoxy-3-oxoundecanamide
SMILESCCCCCCCCC(=O)C(OC)C(N)=O
InChIInChI=1S/C12H23NO3/c1-3-4-5-6-7-8-9-10(14)11(16-2)12(13)15/h11H,3-9H2,1-2H3,(H2,13,15)
InChIKeyQBDOFIMEDYHAJQ-UHFFFAOYSA-N
XLogP1.81
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxyoctadecan-2-one
CID 54059971
2-methyl-3-oxooctadecanamide
CID 141179225
4-methoxypentadecan-5-one
CID 116708152
methyl 2-methyl-3-oxododecanoate
CID 86063741
methyl 2-fluoro-3-oxododecanoate
CID 141197568
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
diethyl 2-hexanoylpropanedioate
CID 11065103
1,1-diethoxydodecan-2-one
CID 79494973

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-oxoundecanamide?
The IUPAC name of 2-methoxy-3-oxoundecanamide (CID 91551788) is 2-methoxy-3-oxoundecanamide.
What is the SMILES notation for 2-methoxy-3-oxoundecanamide?
The canonical SMILES for 2-methoxy-3-oxoundecanamide is CCCCCCCCC(=O)C(OC)C(N)=O.
What is the InChIKey of 2-methoxy-3-oxoundecanamide?
The InChIKey is QBDOFIMEDYHAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-4-5-6-7-8-9-10(14)11(16-2)12(13)15/h11H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-methoxy-3-oxoundecanamide?
2-methoxy-3-oxoundecanamide has a molecular weight of 229.32 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-oxoundecanamide is sourced from PubChem (CID 91551788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).