2-(2-hydroxyethylidene)-3-methylnonanamide

C12H23NO2 — CID 173435081

IUPAC2-(2-hydroxyethylidene)-3-methylnonanamide
SMILESCCCCCCC(C)C(=CCO)C(N)=O
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-10(2)11(8-9-14)12(13)15/h8,10,14H,3-7,9H2,1-2H3,(H2,13,15)
InChIKeyABAOVEORWRLCOX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.00
Rot. Bonds8

About 2-(2-hydroxyethylidene)-3-methylnonanamide

2-(2-hydroxyethylidene)-3-methylnonanamide (PubChem CID 173435081) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-hydroxyethylidene)-3-methylnonanamide.

Molecular Properties

Compound Name2-(2-hydroxyethylidene)-3-methylnonanamide
PubChem CID173435081
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(2-hydroxyethylidene)-3-methylnonanamide
SMILESCCCCCCC(C)C(=CCO)C(N)=O
InChIInChI=1S/C12H23NO2/c1-3-4-5-6-7-10(2)11(8-9-14)12(13)15/h8,10,14H,3-7,9H2,1-2H3,(H2,13,15)
InChIKeyABAOVEORWRLCOX-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-methyloctanamide
CID 174470127
2-methylheptanamide;2-methylhexanamide
CID 160718848
(E)-2-methyloctadec-9-enamide
CID 19371032
3-methyl-2-pentylideneoctanoic acid
CID 152706182
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
heptane;2-methylheptadecanoic acid
CID 175511035
3-methyltridecan-2-one
CID 58341645
methyl (2S)-2-methylnonanoate
CID 12525304
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylidene)-3-methylnonanamide?
The IUPAC name of 2-(2-hydroxyethylidene)-3-methylnonanamide (CID 173435081) is 2-(2-hydroxyethylidene)-3-methylnonanamide.
What is the SMILES notation for 2-(2-hydroxyethylidene)-3-methylnonanamide?
The canonical SMILES for 2-(2-hydroxyethylidene)-3-methylnonanamide is CCCCCCC(C)C(=CCO)C(N)=O.
What is the InChIKey of 2-(2-hydroxyethylidene)-3-methylnonanamide?
The InChIKey is ABAOVEORWRLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-5-6-7-10(2)11(8-9-14)12(13)15/h8,10,14H,3-7,9H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2-hydroxyethylidene)-3-methylnonanamide?
2-(2-hydroxyethylidene)-3-methylnonanamide has a molecular weight of 213.32 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylidene)-3-methylnonanamide is sourced from PubChem (CID 173435081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).