methyl 2-(dibenzylamino)cyclobutene-1-carboxylate

C20H21NO2 — CID 10614692

IUPACmethyl 2-(dibenzylamino)cyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C20H21NO2/c1-23-20(22)18-12-13-19(18)21(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyTWSFLBSIVAGJSX-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.91
Rot. Bonds6

About methyl 2-(dibenzylamino)cyclobutene-1-carboxylate

methyl 2-(dibenzylamino)cyclobutene-1-carboxylate (PubChem CID 10614692) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 2-(dibenzylamino)cyclobutene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dibenzylamino)cyclobutene-1-carboxylate
PubChem CID10614692
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Namemethyl 2-(dibenzylamino)cyclobutene-1-carboxylate
SMILESCOC(=O)C1=C(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C20H21NO2/c1-23-20(22)18-12-13-19(18)21(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyTWSFLBSIVAGJSX-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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rac-Ethyl (2E)-N,N-dibenzyl-4-aminopent-2-enoate
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Methyl 1-benzyl-2,6-dimethyl-4-oxopyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dibenzylamino)cyclobutene-1-carboxylate?
The IUPAC name of methyl 2-(dibenzylamino)cyclobutene-1-carboxylate (CID 10614692) is methyl 2-(dibenzylamino)cyclobutene-1-carboxylate.
What is the SMILES notation for methyl 2-(dibenzylamino)cyclobutene-1-carboxylate?
The canonical SMILES for methyl 2-(dibenzylamino)cyclobutene-1-carboxylate is COC(=O)C1=C(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-(dibenzylamino)cyclobutene-1-carboxylate?
The InChIKey is TWSFLBSIVAGJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-23-20(22)18-12-13-19(18)21(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3.
What are the key properties of methyl 2-(dibenzylamino)cyclobutene-1-carboxylate?
methyl 2-(dibenzylamino)cyclobutene-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dibenzylamino)cyclobutene-1-carboxylate is sourced from PubChem (CID 10614692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).