(1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide

C20H28N2O2 — CID 122690092

IUPAC(1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide
SMILESCCNC(=O)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC)cc13
InChIInChI=1S/C20H28N2O2/c1-3-21-19(23)22-11-10-20-9-5-4-6-16(20)18(22)12-14-7-8-15(24-2)13-17(14)20/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,21,23)/t16-,18+,20+/m0/s1
InChIKeyYITARTGBZDDOOQ-ILZDJORESA-N
MW328.46 g/mol
LogP3.48
Rot. Bonds2

About (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide

(1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide (PubChem CID 122690092) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide.

Molecular Properties

Compound Name(1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide
PubChem CID122690092
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide
SMILESCCNC(=O)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC)cc13
InChIInChI=1S/C20H28N2O2/c1-3-21-19(23)22-11-10-20-9-5-4-6-16(20)18(22)12-14-7-8-15(24-2)13-17(14)20/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,21,23)/t16-,18+,20+/m0/s1
InChIKeyYITARTGBZDDOOQ-ILZDJORESA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide?
The IUPAC name of (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide (CID 122690092) is (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide.
What is the SMILES notation for (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide?
The canonical SMILES for (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide is CCNC(=O)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC)cc13.
What is the InChIKey of (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide?
The InChIKey is YITARTGBZDDOOQ-ILZDJORESA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-21-19(23)22-11-10-20-9-5-4-6-16(20)18(22)12-14-7-8-15(24-2)13-17(14)20/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,21,23)/t16-,18+,20+/m0/s1.
What are the key properties of (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide?
(1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-N-ethyl-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxamide is sourced from PubChem (CID 122690092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).