2-methyl-4-oxotridec-2-enamide

C14H25NO2 — CID 141089964

IUPAC2-methyl-4-oxotridec-2-enamide
SMILESCCCCCCCCCC(=O)C=C(C)C(N)=O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-13(16)11-12(2)14(15)17/h11H,3-10H2,1-2H3,(H2,15,17)
InChIKeyDWDBVMGAEXFLJA-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.13
Rot. Bonds10

About 2-methyl-4-oxotridec-2-enamide

2-methyl-4-oxotridec-2-enamide (PubChem CID 141089964) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-4-oxotridec-2-enamide.

Molecular Properties

Compound Name2-methyl-4-oxotridec-2-enamide
PubChem CID141089964
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-methyl-4-oxotridec-2-enamide
SMILESCCCCCCCCCC(=O)C=C(C)C(N)=O
InChIInChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-13(16)11-12(2)14(15)17/h11H,3-10H2,1-2H3,(H2,15,17)
InChIKeyDWDBVMGAEXFLJA-UHFFFAOYSA-N
XLogP3.13
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
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

(Z)-12-methylhenicos-11-en-10-one
CID 122379193
6-hydroxy-2-methyl-4-oxohex-2-enamide
CID 140528223
(Z)-7-hydroxyhexacos-7-en-9-one
CID 122377980
(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
3-methylpentadec-2-enamide
CID 174903366
(E)-2-methylhexadec-2-enamide
CID 87240184
2-octadecylbut-2-enediamide
CID 73412414
(Z)-2-tetradecylbut-2-enediamide
CID 174956271
2-methylnonacos-2-enamide
CID 141002865
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxotridec-2-enamide?
The IUPAC name of 2-methyl-4-oxotridec-2-enamide (CID 141089964) is 2-methyl-4-oxotridec-2-enamide.
What is the SMILES notation for 2-methyl-4-oxotridec-2-enamide?
The canonical SMILES for 2-methyl-4-oxotridec-2-enamide is CCCCCCCCCC(=O)C=C(C)C(N)=O.
What is the InChIKey of 2-methyl-4-oxotridec-2-enamide?
The InChIKey is DWDBVMGAEXFLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-4-5-6-7-8-9-10-13(16)11-12(2)14(15)17/h11H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of 2-methyl-4-oxotridec-2-enamide?
2-methyl-4-oxotridec-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxotridec-2-enamide is sourced from PubChem (CID 141089964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).