10-methyl-9-oxo-N-propan-2-ylundec-10-enamide

C15H27NO2 — CID 58298896

IUPAC10-methyl-9-oxo-N-propan-2-ylundec-10-enamide
SMILESC=C(C)C(=O)CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C15H27NO2/c1-12(2)14(17)10-8-6-5-7-9-11-15(18)16-13(3)4/h13H,1,5-11H2,2-4H3,(H,16,18)
InChIKeyXECBTTJGHLUZOI-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.39
Rot. Bonds10

About 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide

10-methyl-9-oxo-N-propan-2-ylundec-10-enamide (PubChem CID 58298896) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide.

Molecular Properties

Compound Name10-methyl-9-oxo-N-propan-2-ylundec-10-enamide
PubChem CID58298896
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name10-methyl-9-oxo-N-propan-2-ylundec-10-enamide
SMILESC=C(C)C(=O)CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C15H27NO2/c1-12(2)14(17)10-8-6-5-7-9-11-15(18)16-13(3)4/h13H,1,5-11H2,2-4H3,(H,16,18)
InChIKeyXECBTTJGHLUZOI-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide?
The IUPAC name of 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide (CID 58298896) is 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide.
What is the SMILES notation for 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide?
The canonical SMILES for 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide is C=C(C)C(=O)CCCCCCCC(=O)NC(C)C.
What is the InChIKey of 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide?
The InChIKey is XECBTTJGHLUZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(2)14(17)10-8-6-5-7-9-11-15(18)16-13(3)4/h13H,1,5-11H2,2-4H3,(H,16,18).
What are the key properties of 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide?
10-methyl-9-oxo-N-propan-2-ylundec-10-enamide has a molecular weight of 253.39 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-oxo-N-propan-2-ylundec-10-enamide is sourced from PubChem (CID 58298896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).