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(11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C21H29N3O4 — CID 92737762

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCOCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C21H29N3O4/c1-14-4-6-15(7-5-14)22-20(26)21(2)13-23-16-8-10-28-18(16)12-17(23)19(25)24(21)9-11-27-3/h8,10,12,14-15H,4-7,9,11,13H2,1-3H3,(H,22,26)/t14?,15?,21-/m0/s1
InChIKeyGETOOIUTGQQXEO-XFMWISLNSA-N
MW387.48 g/mol
LogP2.79
Rot. Bonds5

About (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92737762) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name(11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID92737762
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name(11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCOCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C21H29N3O4/c1-14-4-6-15(7-5-14)22-20(26)21(2)13-23-16-8-10-28-18(16)12-17(23)19(25)24(21)9-11-27-3/h8,10,12,14-15H,4-7,9,11,13H2,1-3H3,(H,22,26)/t14?,15?,21-/m0/s1
InChIKeyGETOOIUTGQQXEO-XFMWISLNSA-N
XLogP2.79
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92737762) is (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is COCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1.
What is the InChIKey of (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is GETOOIUTGQQXEO-XFMWISLNSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-14-4-6-15(7-5-14)22-20(26)21(2)13-23-16-8-10-28-18(16)12-17(23)19(25)24(21)9-11-27-3/h8,10,12,14-15H,4-7,9,11,13H2,1-3H3,(H,22,26)/t14?,15?,21-/m0/s1.
What are the key properties of (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92737762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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