ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide

C16H29NO2 — CID 143043738

IUPACethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide
SMILESCC.CCCC(CCC)NC(=O)c1cc(C)c(C)o1
InChIInChI=1S/C14H23NO2.C2H6/c1-5-7-12(8-6-2)15-14(16)13-9-10(3)11(4)17-13;1-2/h9,12H,5-8H2,1-4H3,(H,15,16);1-2H3
InChIKeyIJJFDGFBUGJCEZ-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.62
Rot. Bonds6

About ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide

ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide (PubChem CID 143043738) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Nameethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide
PubChem CID143043738
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide
SMILESCC.CCCC(CCC)NC(=O)c1cc(C)c(C)o1
InChIInChI=1S/C14H23NO2.C2H6/c1-5-7-12(8-6-2)15-14(16)13-9-10(3)11(4)17-13;1-2/h9,12H,5-8H2,1-4H3,(H,15,16);1-2H3
InChIKeyIJJFDGFBUGJCEZ-UHFFFAOYSA-N
XLogP4.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide?
The IUPAC name of ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide (CID 143043738) is ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide?
The canonical SMILES for ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide is CC.CCCC(CCC)NC(=O)c1cc(C)c(C)o1.
What is the InChIKey of ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide?
The InChIKey is IJJFDGFBUGJCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.C2H6/c1-5-7-12(8-6-2)15-14(16)13-9-10(3)11(4)17-13;1-2/h9,12H,5-8H2,1-4H3,(H,15,16);1-2H3.
What are the key properties of ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide?
ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide has a molecular weight of 267.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-heptan-4-yl-4,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 143043738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).