8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate

C23H28N2O2 — CID 91189456

IUPAC8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
SMILESCc1ccc(-c2cccc(C)c2NC(=O)OCC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C23H28N2O2/c1-15-6-8-18(9-7-15)21-5-3-4-16(2)22(21)25-23(26)27-14-17-12-19-10-11-20(13-17)24-19/h3-9,17,19-20,24H,10-14H2,1-2H3,(H,25,26)
InChIKeySOJWNJUUBGNRAB-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.05
Rot. Bonds4

About 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate

8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate (PubChem CID 91189456) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
PubChem CID91189456
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate
SMILESCc1ccc(-c2cccc(C)c2NC(=O)OCC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C23H28N2O2/c1-15-6-8-18(9-7-15)21-5-3-4-16(2)22(21)25-23(26)27-14-17-12-19-10-11-20(13-17)24-19/h3-9,17,19-20,24H,10-14H2,1-2H3,(H,25,26)
InChIKeySOJWNJUUBGNRAB-UHFFFAOYSA-N
XLogP5.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate (CID 91189456) is 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate is Cc1ccc(-c2cccc(C)c2NC(=O)OCC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate?
The InChIKey is SOJWNJUUBGNRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15-6-8-18(9-7-15)21-5-3-4-16(2)22(21)25-23(26)27-14-17-12-19-10-11-20(13-17)24-19/h3-9,17,19-20,24H,10-14H2,1-2H3,(H,25,26).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate?
8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate has a molecular weight of 364.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylmethyl N-[2-methyl-6-(4-methylphenyl)phenyl]carbamate is sourced from PubChem (CID 91189456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).