3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide

C17H25NO3 — CID 9244978

IUPAC3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide
SMILESCC(=O)c1cc(CCC(=O)NC2CCCCCC2)oc1C
InChIInChI=1S/C17H25NO3/c1-12(19)16-11-15(21-13(16)2)9-10-17(20)18-14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,18,20)
InChIKeyNAJJBAWPSMVJJA-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.56
Rot. Bonds5

About 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide

3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide (PubChem CID 9244978) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide
PubChem CID9244978
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide
SMILESCC(=O)c1cc(CCC(=O)NC2CCCCCC2)oc1C
InChIInChI=1S/C17H25NO3/c1-12(19)16-11-15(21-13(16)2)9-10-17(20)18-14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,18,20)
InChIKeyNAJJBAWPSMVJJA-UHFFFAOYSA-N
XLogP3.56
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide?
The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide (CID 9244978) is 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide?
The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide is CC(=O)c1cc(CCC(=O)NC2CCCCCC2)oc1C.
What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide?
The InChIKey is NAJJBAWPSMVJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(19)16-11-15(21-13(16)2)9-10-17(20)18-14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide?
3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-5-methylfuran-2-yl)-N-cycloheptylpropanamide is sourced from PubChem (CID 9244978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).