2-methyl-3-oxooctadecanamide

C19H37NO2 — CID 141179225

IUPAC2-methyl-3-oxooctadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)C(C)C(N)=O
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)17(2)19(20)22/h17H,3-16H2,1-2H3,(H2,20,22)
InChIKeyGIFSCXXCRKVNRI-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.16
Rot. Bonds16

About 2-methyl-3-oxooctadecanamide

2-methyl-3-oxooctadecanamide (PubChem CID 141179225) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-methyl-3-oxooctadecanamide.

Molecular Properties

Compound Name2-methyl-3-oxooctadecanamide
PubChem CID141179225
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name2-methyl-3-oxooctadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)C(C)C(N)=O
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)17(2)19(20)22/h17H,3-16H2,1-2H3,(H2,20,22)
InChIKeyGIFSCXXCRKVNRI-UHFFFAOYSA-N
XLogP5.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.16
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

25-methylnonatetracontane-24,26-dione
CID 173069947
methyl 2-methyl-3-oxododecanoate
CID 86063741
2-amino-3-methyldodecan-4-one
CID 116612115
2-methyl-3-oxoicosanethioic S-acid
CID 141055221
(3S)-3-methylnonane-2,4-dione
CID 76962575
2-methylhexadecan-3-one
CID 58030381
2,2,4-trimethyldodecane-3,5-dione
CID 134924480
2-hydroxyicosan-3-one
CID 57023276
octadecanamide;bis(propan-2-ol)
CID 90014672
2-methoxy-3-oxoundecanamide
CID 91551788
2-methyl-3-oxodec-8-enamide
CID 172994116
tetradecanamide
CID 175692014

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxooctadecanamide?
The IUPAC name of 2-methyl-3-oxooctadecanamide (CID 141179225) is 2-methyl-3-oxooctadecanamide.
What is the SMILES notation for 2-methyl-3-oxooctadecanamide?
The canonical SMILES for 2-methyl-3-oxooctadecanamide is CCCCCCCCCCCCCCCC(=O)C(C)C(N)=O.
What is the InChIKey of 2-methyl-3-oxooctadecanamide?
The InChIKey is GIFSCXXCRKVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)17(2)19(20)22/h17H,3-16H2,1-2H3,(H2,20,22).
What are the key properties of 2-methyl-3-oxooctadecanamide?
2-methyl-3-oxooctadecanamide has a molecular weight of 311.51 g/mol, XLogP of 5.16, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxooctadecanamide is sourced from PubChem (CID 141179225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).