4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide

C14H17NO3 — CID 138022288

IUPAC4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide
SMILESCc1coc(C(=O)NCC#CC2CCCCO2)c1
InChIInChI=1S/C14H17NO3/c1-11-9-13(18-10-11)14(16)15-7-4-6-12-5-2-3-8-17-12/h9-10,12H,2-3,5,7-8H2,1H3,(H,15,16)
InChIKeyBNMKLLBMNHYDRG-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.89
Rot. Bonds2

About 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide

4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide (PubChem CID 138022288) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide
PubChem CID138022288
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide
SMILESCc1coc(C(=O)NCC#CC2CCCCO2)c1
InChIInChI=1S/C14H17NO3/c1-11-9-13(18-10-11)14(16)15-7-4-6-12-5-2-3-8-17-12/h9-10,12H,2-3,5,7-8H2,1H3,(H,15,16)
InChIKeyBNMKLLBMNHYDRG-UHFFFAOYSA-N
XLogP1.89
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide (CID 138022288) is 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide is Cc1coc(C(=O)NCC#CC2CCCCO2)c1.
What is the InChIKey of 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide?
The InChIKey is BNMKLLBMNHYDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11-9-13(18-10-11)14(16)15-7-4-6-12-5-2-3-8-17-12/h9-10,12H,2-3,5,7-8H2,1H3,(H,15,16).
What are the key properties of 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide?
4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide is sourced from PubChem (CID 138022288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).