2,2-dimethyl-3-oxoundecanamide

C13H25NO2 — CID 139713201

IUPAC2,2-dimethyl-3-oxoundecanamide
SMILESCCCCCCCCC(=O)C(C)(C)C(N)=O
InChIInChI=1S/C13H25NO2/c1-4-5-6-7-8-9-10-11(15)13(2,3)12(14)16/h4-10H2,1-3H3,(H2,14,16)
InChIKeyFMGGLJYUPFEQLJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.82
Rot. Bonds9

About 2,2-dimethyl-3-oxoundecanamide

2,2-dimethyl-3-oxoundecanamide (PubChem CID 139713201) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxoundecanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxoundecanamide
PubChem CID139713201
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2-dimethyl-3-oxoundecanamide
SMILESCCCCCCCCC(=O)C(C)(C)C(N)=O
InChIInChI=1S/C13H25NO2/c1-4-5-6-7-8-9-10-11(15)13(2,3)12(14)16/h4-10H2,1-3H3,(H2,14,16)
InChIKeyFMGGLJYUPFEQLJ-UHFFFAOYSA-N
XLogP2.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
sodium 2,2-dimethyl-3-oxotetradecanoate
CID 139662035
ethyl 2,2-dimethyl-3-oxooctanoate
CID 175381300
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
3-amino-3-methylhexadecan-4-one
CID 116590430
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
2-fluoro-2-methyldecan-3-one
CID 14645302
1-amino-2-hydroxy-2-methyltetradecan-3-one
CID 141154227
prop-2-enyl 2,2-dimethyl-3-oxononanoate
CID 13005781

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxoundecanamide?
The IUPAC name of 2,2-dimethyl-3-oxoundecanamide (CID 139713201) is 2,2-dimethyl-3-oxoundecanamide.
What is the SMILES notation for 2,2-dimethyl-3-oxoundecanamide?
The canonical SMILES for 2,2-dimethyl-3-oxoundecanamide is CCCCCCCCC(=O)C(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-oxoundecanamide?
The InChIKey is FMGGLJYUPFEQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-5-6-7-8-9-10-11(15)13(2,3)12(14)16/h4-10H2,1-3H3,(H2,14,16).
What are the key properties of 2,2-dimethyl-3-oxoundecanamide?
2,2-dimethyl-3-oxoundecanamide has a molecular weight of 227.35 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxoundecanamide is sourced from PubChem (CID 139713201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).