bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide

C20H30N2O2 — CID 54033082

IUPACbicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c2c1CCCCCCCCCCCC2
InChIInChI=1S/C20H30N2O2/c21-19(23)17-13-14-18(20(22)24)16-12-10-8-6-4-2-1-3-5-7-9-11-15(16)17/h13-14H,1-12H2,(H2,21,23)(H2,22,24)
InChIKeyLGZTWVXJTLNVRD-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.88
Rot. Bonds2

About bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide

bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide (PubChem CID 54033082) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide.

Molecular Properties

Compound Namebicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
PubChem CID54033082
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namebicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c2c1CCCCCCCCCCCC2
InChIInChI=1S/C20H30N2O2/c21-19(23)17-13-14-18(20(22)24)16-12-10-8-6-4-2-1-3-5-7-9-11-15(16)17/h13-14H,1-12H2,(H2,21,23)(H2,22,24)
InChIKeyLGZTWVXJTLNVRD-UHFFFAOYSA-N
XLogP3.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide?
The IUPAC name of bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide (CID 54033082) is bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide.
What is the SMILES notation for bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide?
The canonical SMILES for bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide is NC(=O)c1ccc(C(N)=O)c2c1CCCCCCCCCCCC2.
What is the InChIKey of bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide?
The InChIKey is LGZTWVXJTLNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c21-19(23)17-13-14-18(20(22)24)16-12-10-8-6-4-2-1-3-5-7-9-11-15(16)17/h13-14H,1-12H2,(H2,21,23)(H2,22,24).
What are the key properties of bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide?
bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide is sourced from PubChem (CID 54033082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).