methane;N-(10-methyl-9-oxoundecyl)formamide

C14H29NO2 — CID 176664599

IUPACmethane;N-(10-methyl-9-oxoundecyl)formamide
SMILESC.CC(C)C(=O)CCCCCCCCNC=O
InChIInChI=1S/C13H25NO2.CH4/c1-12(2)13(16)9-7-5-3-4-6-8-10-14-11-15;/h11-12H,3-10H2,1-2H3,(H,14,15);1H4
InChIKeyLIZJXTJCZPIAGQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.32
Rot. Bonds11

About methane;N-(10-methyl-9-oxoundecyl)formamide

methane;N-(10-methyl-9-oxoundecyl)formamide (PubChem CID 176664599) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is methane;N-(10-methyl-9-oxoundecyl)formamide.

Molecular Properties

Compound Namemethane;N-(10-methyl-9-oxoundecyl)formamide
PubChem CID176664599
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Namemethane;N-(10-methyl-9-oxoundecyl)formamide
SMILESC.CC(C)C(=O)CCCCCCCCNC=O
InChIInChI=1S/C13H25NO2.CH4/c1-12(2)13(16)9-7-5-3-4-6-8-10-14-11-15;/h11-12H,3-10H2,1-2H3,(H,14,15);1H4
InChIKeyLIZJXTJCZPIAGQ-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;N-(10-methyl-9-oxoundecyl)formamide?
The IUPAC name of methane;N-(10-methyl-9-oxoundecyl)formamide (CID 176664599) is methane;N-(10-methyl-9-oxoundecyl)formamide.
What is the SMILES notation for methane;N-(10-methyl-9-oxoundecyl)formamide?
The canonical SMILES for methane;N-(10-methyl-9-oxoundecyl)formamide is C.CC(C)C(=O)CCCCCCCCNC=O.
What is the InChIKey of methane;N-(10-methyl-9-oxoundecyl)formamide?
The InChIKey is LIZJXTJCZPIAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.CH4/c1-12(2)13(16)9-7-5-3-4-6-8-10-14-11-15;/h11-12H,3-10H2,1-2H3,(H,14,15);1H4.
What are the key properties of methane;N-(10-methyl-9-oxoundecyl)formamide?
methane;N-(10-methyl-9-oxoundecyl)formamide has a molecular weight of 243.39 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(10-methyl-9-oxoundecyl)formamide is sourced from PubChem (CID 176664599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).