methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate

C23H30N2O3 — CID 156825726

IUPACmethyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC3(c4cccc(C5(C)CC5)c4)CC3C2)C1
InChIInChI=1S/C23H30N2O3/c1-22(6-7-22)16-4-3-5-17(12-16)23-8-9-25(14-18(23)13-23)20(26)15-10-19(11-15)24-21(27)28-2/h3-5,12,15,18-19H,6-11,13-14H2,1-2H3,(H,24,27)
InChIKeyFZMMAFCFOXGQSQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.36
Rot. Bonds4

About methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate

methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate (PubChem CID 156825726) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate
PubChem CID156825726
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Namemethyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC3(c4cccc(C5(C)CC5)c4)CC3C2)C1
InChIInChI=1S/C23H30N2O3/c1-22(6-7-22)16-4-3-5-17(12-16)23-8-9-25(14-18(23)13-23)20(26)15-10-19(11-15)24-21(27)28-2/h3-5,12,15,18-19H,6-11,13-14H2,1-2H3,(H,24,27)
InChIKeyFZMMAFCFOXGQSQ-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate (CID 156825726) is methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate is COC(=O)NC1CC(C(=O)N2CCC3(c4cccc(C5(C)CC5)c4)CC3C2)C1.
What is the InChIKey of methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate?
The InChIKey is FZMMAFCFOXGQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-22(6-7-22)16-4-3-5-17(12-16)23-8-9-25(14-18(23)13-23)20(26)15-10-19(11-15)24-21(27)28-2/h3-5,12,15,18-19H,6-11,13-14H2,1-2H3,(H,24,27).
What are the key properties of methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate?
methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate has a molecular weight of 382.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[6-[3-(1-methylcyclopropyl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 156825726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).