2-methyl-N-undecylfuran-3-carboxamide

C17H29NO2 — CID 4996861

IUPAC2-methyl-N-undecylfuran-3-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1ccoc1C
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-13-18-17(19)16-12-14-20-15(16)2/h12,14H,3-11,13H2,1-2H3,(H,18,19)
InChIKeyHYIIOWZELBDILQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.85
Rot. Bonds11

About 2-methyl-N-undecylfuran-3-carboxamide

2-methyl-N-undecylfuran-3-carboxamide (PubChem CID 4996861) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-N-undecylfuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-undecylfuran-3-carboxamide
PubChem CID4996861
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-N-undecylfuran-3-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1ccoc1C
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-13-18-17(19)16-12-14-20-15(16)2/h12,14H,3-11,13H2,1-2H3,(H,18,19)
InChIKeyHYIIOWZELBDILQ-UHFFFAOYSA-N
XLogP4.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-undecylfuran-3-carboxamide?
The IUPAC name of 2-methyl-N-undecylfuran-3-carboxamide (CID 4996861) is 2-methyl-N-undecylfuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-undecylfuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-undecylfuran-3-carboxamide is CCCCCCCCCCCNC(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N-undecylfuran-3-carboxamide?
The InChIKey is HYIIOWZELBDILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-7-8-9-10-11-13-18-17(19)16-12-14-20-15(16)2/h12,14H,3-11,13H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-undecylfuran-3-carboxamide?
2-methyl-N-undecylfuran-3-carboxamide has a molecular weight of 279.42 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-undecylfuran-3-carboxamide is sourced from PubChem (CID 4996861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).