18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide

C20H20N2O2 — CID 70508760

IUPAC18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide
SMILESCN1CCC2=C(CC1)c1cc(C(N)=O)ccc1Oc1ccccc12
InChIInChI=1S/C20H20N2O2/c1-22-10-8-14-15(9-11-22)17-12-13(20(21)23)6-7-19(17)24-18-5-3-2-4-16(14)18/h2-7,12H,8-11H2,1H3,(H2,21,23)
InChIKeyDEMKYOLPQVUAIC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.53
Rot. Bonds1

About 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide

18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide (PubChem CID 70508760) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide.

Molecular Properties

Compound Name18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide
PubChem CID70508760
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide
SMILESCN1CCC2=C(CC1)c1cc(C(N)=O)ccc1Oc1ccccc12
InChIInChI=1S/C20H20N2O2/c1-22-10-8-14-15(9-11-22)17-12-13(20(21)23)6-7-19(17)24-18-5-3-2-4-16(14)18/h2-7,12H,8-11H2,1H3,(H2,21,23)
InChIKeyDEMKYOLPQVUAIC-UHFFFAOYSA-N
XLogP3.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide?
The IUPAC name of 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide (CID 70508760) is 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide.
What is the SMILES notation for 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide?
The canonical SMILES for 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide is CN1CCC2=C(CC1)c1cc(C(N)=O)ccc1Oc1ccccc12.
What is the InChIKey of 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide?
The InChIKey is DEMKYOLPQVUAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-22-10-8-14-15(9-11-22)17-12-13(20(21)23)6-7-19(17)24-18-5-3-2-4-16(14)18/h2-7,12H,8-11H2,1H3,(H2,21,23).
What are the key properties of 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide?
18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2(7),3,5,9,11,13-heptaene-4-carboxamide is sourced from PubChem (CID 70508760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).