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Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate

C23H34N2O3 — CID 166787721

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

IUPACmethyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate
SMILESCOC(=O)NC1(C)CC(C(=O)N(C)C2CC(c3cccc(C(C)(C)C)c3)C2)C1
InChIInChI=1S/C23H34N2O3/c1-22(2,3)18-9-7-8-15(10-18)16-11-19(12-16)25(5)20(26)17-13-23(4,14-17)24-21(27)28-6/h7-10,16-17,19H,11-14H2,1-6H3,(H,24,27)
InChIKeyGZGFDRXNBSTIGY-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.21
Rot. Bonds4

About Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate

Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate (PubChem CID 166787721) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate.

Molecular Properties

Compound NameMethyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate
PubChem CID166787721
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Namemethyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate
SMILESCOC(=O)NC1(C)CC(C(=O)N(C)C2CC(c3cccc(C(C)(C)C)c3)C2)C1
InChIInChI=1S/C23H34N2O3/c1-22(2,3)18-9-7-8-15(10-18)16-11-19(12-16)25(5)20(26)17-13-23(4,14-17)24-21(27)28-6/h7-10,16-17,19H,11-14H2,1-6H3,(H,24,27)
InChIKeyGZGFDRXNBSTIGY-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.21
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-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate?
The IUPAC name of Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate (CID 166787721) is methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate.
What is the SMILES notation for Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate?
The canonical SMILES for Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate is COC(=O)NC1(C)CC(C(=O)N(C)C2CC(c3cccc(C(C)(C)C)c3)C2)C1.
What is the InChIKey of Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate?
The InChIKey is GZGFDRXNBSTIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-22(2,3)18-9-7-8-15(10-18)16-11-19(12-16)25(5)20(26)17-13-23(4,14-17)24-21(27)28-6/h7-10,16-17,19H,11-14H2,1-6H3,(H,24,27).
What are the key properties of Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate?
Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate has a molecular weight of 386.54 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl N-[3-[[3-(3-tert-butylphenyl)cyclobutyl]-methylcarbamoyl]-1-methylcyclobutyl]carbamate is sourced from PubChem (CID 166787721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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