(1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide

C23H33NO5 — CID 143261750

IUPAC(1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide
SMILESCC(C)N(C(=O)C12C[C@]13CCC1(CC3=C[C@H]3C(=O)O[C@H](C)[C@H]32)OCCO1)C(C)C
InChIInChI=1S/C23H33NO5/c1-13(2)24(14(3)4)20(26)23-12-21(23)6-7-22(27-8-9-28-22)11-16(21)10-17-18(23)15(5)29-19(17)25/h10,13-15,17-18H,6-9,11-12H2,1-5H3/t15-,17-,18-,21+,23?/m1/s1
InChIKeyHQEDHXZMZUWFLV-KZELCPPUSA-N
MW403.52 g/mol
LogP3.05
Rot. Bonds3

About (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide

(1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide (PubChem CID 143261750) has the molecular formula C23H33NO5 and a molecular weight of 403.52 g/mol. Its IUPAC name is (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide.

Molecular Properties

Compound Name(1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide
PubChem CID143261750
Molecular FormulaC23H33NO5
Molecular Weight403.52 g/mol
Exact Mass403.24
IUPAC Name(1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide
SMILESCC(C)N(C(=O)C12C[C@]13CCC1(CC3=C[C@H]3C(=O)O[C@H](C)[C@H]32)OCCO1)C(C)C
InChIInChI=1S/C23H33NO5/c1-13(2)24(14(3)4)20(26)23-12-21(23)6-7-22(27-8-9-28-22)11-16(21)10-17-18(23)15(5)29-19(17)25/h10,13-15,17-18H,6-9,11-12H2,1-5H3/t15-,17-,18-,21+,23?/m1/s1
InChIKeyHQEDHXZMZUWFLV-KZELCPPUSA-N
XLogP3.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide?
The IUPAC name of (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide (CID 143261750) is (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide.
What is the SMILES notation for (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide?
The canonical SMILES for (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide is CC(C)N(C(=O)C12C[C@]13CCC1(CC3=C[C@H]3C(=O)O[C@H](C)[C@H]32)OCCO1)C(C)C.
What is the InChIKey of (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide?
The InChIKey is HQEDHXZMZUWFLV-KZELCPPUSA-N. The full InChI is InChI=1S/C23H33NO5/c1-13(2)24(14(3)4)20(26)23-12-21(23)6-7-22(27-8-9-28-22)11-16(21)10-17-18(23)15(5)29-19(17)25/h10,13-15,17-18H,6-9,11-12H2,1-5H3/t15-,17-,18-,21+,23?/m1/s1.
What are the key properties of (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide?
(1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4'R,5'R,8'R)-5'-methyl-7'-oxo-N,N-di(propan-2-yl)spiro[1,3-dioxolane-2,12'-6-oxatetracyclo[8.4.0.01,3.04,8]tetradec-9-ene]-3'-carboxamide is sourced from PubChem (CID 143261750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).