methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate

C21H30N2O3 — CID 166787856

IUPACmethyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate
SMILESCCc1ccc(C2CC(N(C)C(=O)C3CC(C)(NC(=O)OC)C3)C2)cc1
InChIInChI=1S/C21H30N2O3/c1-5-14-6-8-15(9-7-14)16-10-18(11-16)23(3)19(24)17-12-21(2,13-17)22-20(25)26-4/h6-9,16-18H,5,10-13H2,1-4H3,(H,22,25)
InChIKeyOXAAODAQWZRMAU-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.48
Rot. Bonds5

About methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate

methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate (PubChem CID 166787856) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate
PubChem CID166787856
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namemethyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate
SMILESCCc1ccc(C2CC(N(C)C(=O)C3CC(C)(NC(=O)OC)C3)C2)cc1
InChIInChI=1S/C21H30N2O3/c1-5-14-6-8-15(9-7-14)16-10-18(11-16)23(3)19(24)17-12-21(2,13-17)22-20(25)26-4/h6-9,16-18H,5,10-13H2,1-4H3,(H,22,25)
InChIKeyOXAAODAQWZRMAU-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate (CID 166787856) is methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate is CCc1ccc(C2CC(N(C)C(=O)C3CC(C)(NC(=O)OC)C3)C2)cc1.
What is the InChIKey of methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate?
The InChIKey is OXAAODAQWZRMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-5-14-6-8-15(9-7-14)16-10-18(11-16)23(3)19(24)17-12-21(2,13-17)22-20(25)26-4/h6-9,16-18H,5,10-13H2,1-4H3,(H,22,25).
What are the key properties of methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate?
methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate has a molecular weight of 358.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[3-(4-ethylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate is sourced from PubChem (CID 166787856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).