10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide

C18H25NO3 — CID 69176230

IUPAC10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide
SMILESC=C1C(=O)OC2C=C(C)CCC=C(C(=O)NCCC)CCC12
InChIInChI=1S/C18H25NO3/c1-4-10-19-17(20)14-7-5-6-12(2)11-16-15(9-8-14)13(3)18(21)22-16/h7,11,15-16H,3-6,8-10H2,1-2H3,(H,19,20)
InChIKeyLIXNCCRISOSDRW-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.06
Rot. Bonds3

About 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide

10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide (PubChem CID 69176230) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide.

Molecular Properties

Compound Name10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide
PubChem CID69176230
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide
SMILESC=C1C(=O)OC2C=C(C)CCC=C(C(=O)NCCC)CCC12
InChIInChI=1S/C18H25NO3/c1-4-10-19-17(20)14-7-5-6-12(2)11-16-15(9-8-14)13(3)18(21)22-16/h7,11,15-16H,3-6,8-10H2,1-2H3,(H,19,20)
InChIKeyLIXNCCRISOSDRW-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide?
The IUPAC name of 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide (CID 69176230) is 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide.
What is the SMILES notation for 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide?
The canonical SMILES for 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide is C=C1C(=O)OC2C=C(C)CCC=C(C(=O)NCCC)CCC12.
What is the InChIKey of 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide?
The InChIKey is LIXNCCRISOSDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-10-19-17(20)14-7-5-6-12(2)11-16-15(9-8-14)13(3)18(21)22-16/h7,11,15-16H,3-6,8-10H2,1-2H3,(H,19,20).
What are the key properties of 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide?
10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-methylidene-2-oxo-N-propyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxamide is sourced from PubChem (CID 69176230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).