1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide

C18H17NO2 — CID 140757490

IUPAC1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide
SMILESCC(C)C12OC(c3ccccc31)c1ccc(C(N)=O)cc12
InChIInChI=1S/C18H17NO2/c1-10(2)18-14-6-4-3-5-12(14)16(21-18)13-8-7-11(17(19)20)9-15(13)18/h3-10,16H,1-2H3,(H2,19,20)
InChIKeyDEDKCHXQYLECEO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.12
Rot. Bonds2

About 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide

1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide (PubChem CID 140757490) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide
PubChem CID140757490
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide
SMILESCC(C)C12OC(c3ccccc31)c1ccc(C(N)=O)cc12
InChIInChI=1S/C18H17NO2/c1-10(2)18-14-6-4-3-5-12(14)16(21-18)13-8-7-11(17(19)20)9-15(13)18/h3-10,16H,1-2H3,(H2,19,20)
InChIKeyDEDKCHXQYLECEO-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide?
The IUPAC name of 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide (CID 140757490) is 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide is CC(C)C12OC(c3ccccc31)c1ccc(C(N)=O)cc12.
What is the InChIKey of 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide?
The InChIKey is DEDKCHXQYLECEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-10(2)18-14-6-4-3-5-12(14)16(21-18)13-8-7-11(17(19)20)9-15(13)18/h3-10,16H,1-2H3,(H2,19,20).
What are the key properties of 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide?
1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaene-4-carboxamide is sourced from PubChem (CID 140757490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).