2-(dimethylamino)docosan-3-one

C24H49NO — CID 174986692

IUPAC2-(dimethylamino)docosan-3-one
SMILESCCCCCCCCCCCCCCCCCCCC(=O)C(C)N(C)C
InChIInChI=1S/C24H49NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23(2)25(3)4/h23H,5-22H2,1-4H3
InChIKeyFWXUYGRWXUCXTL-UHFFFAOYSA-N
MW367.66 g/mol
LogP7.55
Rot. Bonds20

About 2-(dimethylamino)docosan-3-one

2-(dimethylamino)docosan-3-one (PubChem CID 174986692) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is 2-(dimethylamino)docosan-3-one.

Molecular Properties

Compound Name2-(dimethylamino)docosan-3-one
PubChem CID174986692
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name2-(dimethylamino)docosan-3-one
SMILESCCCCCCCCCCCCCCCCCCCC(=O)C(C)N(C)C
InChIInChI=1S/C24H49NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23(2)25(3)4/h23H,5-22H2,1-4H3
InChIKeyFWXUYGRWXUCXTL-UHFFFAOYSA-N
XLogP7.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

25-methylnonatetracontane-24,26-dione
CID 173069947
2-methylhexadecan-3-one
CID 58030381
2-[ethyl(propyl)amino]octadecan-3-one
CID 175572404
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
2-hydroxyicosan-3-one
CID 57023276
2-chloroheptadecan-3-one
CID 88651520
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
decanoic acid;1-(dimethylamino)ethanol
CID 173031587
23-[(dimethylamino)methyl]pentatetracontane-22,24-dione
CID 141463289
3-oxotetradecane-2-sulfonic acid
CID 175416732
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
[(2R)-3-oxooctadecan-2-yl]azanium chloride
CID 158532608

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)docosan-3-one?
The IUPAC name of 2-(dimethylamino)docosan-3-one (CID 174986692) is 2-(dimethylamino)docosan-3-one.
What is the SMILES notation for 2-(dimethylamino)docosan-3-one?
The canonical SMILES for 2-(dimethylamino)docosan-3-one is CCCCCCCCCCCCCCCCCCCC(=O)C(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)docosan-3-one?
The InChIKey is FWXUYGRWXUCXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23(2)25(3)4/h23H,5-22H2,1-4H3.
What are the key properties of 2-(dimethylamino)docosan-3-one?
2-(dimethylamino)docosan-3-one has a molecular weight of 367.66 g/mol, XLogP of 7.55, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)docosan-3-one is sourced from PubChem (CID 174986692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).