methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate

C22H26N2O2 — CID 143892551

IUPACmethyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate
SMILESCOC(=O)Nc1cc2c3c(c1)C(C)(c1ccccc1)CCN3CCC2C
InChIInChI=1S/C22H26N2O2/c1-15-9-11-24-12-10-22(2,16-7-5-4-6-8-16)19-14-17(23-21(25)26-3)13-18(15)20(19)24/h4-8,13-15H,9-12H2,1-3H3,(H,23,25)
InChIKeyNVJSTYNHQQLNBS-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.89
Rot. Bonds2

About methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate

methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate (PubChem CID 143892551) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate
PubChem CID143892551
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namemethyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate
SMILESCOC(=O)Nc1cc2c3c(c1)C(C)(c1ccccc1)CCN3CCC2C
InChIInChI=1S/C22H26N2O2/c1-15-9-11-24-12-10-22(2,16-7-5-4-6-8-16)19-14-17(23-21(25)26-3)13-18(15)20(19)24/h4-8,13-15H,9-12H2,1-3H3,(H,23,25)
InChIKeyNVJSTYNHQQLNBS-UHFFFAOYSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate?
The IUPAC name of methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate (CID 143892551) is methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate.
What is the SMILES notation for methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate?
The canonical SMILES for methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate is COC(=O)Nc1cc2c3c(c1)C(C)(c1ccccc1)CCN3CCC2C.
What is the InChIKey of methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate?
The InChIKey is NVJSTYNHQQLNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-9-11-24-12-10-22(2,16-7-5-4-6-8-16)19-14-17(23-21(25)26-3)13-18(15)20(19)24/h4-8,13-15H,9-12H2,1-3H3,(H,23,25).
What are the key properties of methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate?
methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate has a molecular weight of 350.46 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,10-dimethyl-4-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate is sourced from PubChem (CID 143892551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).