tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate

C19H28N2O5 — CID 67525010

IUPACtert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate
SMILESCOCNC(=O)C1(NC(=O)OC(C)(C)C)C(COC)C1c1ccccc1
InChIInChI=1S/C19H28N2O5/c1-18(2,3)26-17(23)21-19(16(22)20-12-25-5)14(11-24-4)15(19)13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyGHHLPBZONLMCLX-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.03
Rot. Bonds7

About tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate

tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate (PubChem CID 67525010) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate
PubChem CID67525010
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Nametert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate
SMILESCOCNC(=O)C1(NC(=O)OC(C)(C)C)C(COC)C1c1ccccc1
InChIInChI=1S/C19H28N2O5/c1-18(2,3)26-17(23)21-19(16(22)20-12-25-5)14(11-24-4)15(19)13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyGHHLPBZONLMCLX-UHFFFAOYSA-N
XLogP2.03
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate (CID 67525010) is tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate is COCNC(=O)C1(NC(=O)OC(C)(C)C)C(COC)C1c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate?
The InChIKey is GHHLPBZONLMCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-18(2,3)26-17(23)21-19(16(22)20-12-25-5)14(11-24-4)15(19)13-9-7-6-8-10-13/h6-10,14-15H,11-12H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate?
tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate has a molecular weight of 364.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methoxymethyl)-1-(methoxymethylcarbamoyl)-3-phenylcyclopropyl]carbamate is sourced from PubChem (CID 67525010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).