methyl N-(2-methoxy-2-phenylbutyl)carbamate

C13H19NO3 — CID 71810718

IUPACmethyl N-(2-methoxy-2-phenylbutyl)carbamate
SMILESCCC(CNC(=O)OC)(OC)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-4-13(17-3,10-14-12(15)16-2)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,15)
InChIKeyZMIQNLCVRNTZHP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.29
Rot. Bonds5

About methyl N-(2-methoxy-2-phenylbutyl)carbamate

methyl N-(2-methoxy-2-phenylbutyl)carbamate (PubChem CID 71810718) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl N-(2-methoxy-2-phenylbutyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methoxy-2-phenylbutyl)carbamate
PubChem CID71810718
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl N-(2-methoxy-2-phenylbutyl)carbamate
SMILESCCC(CNC(=O)OC)(OC)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-4-13(17-3,10-14-12(15)16-2)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,15)
InChIKeyZMIQNLCVRNTZHP-UHFFFAOYSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methoxy-2-phenylbutyl)carbamate?
The IUPAC name of methyl N-(2-methoxy-2-phenylbutyl)carbamate (CID 71810718) is methyl N-(2-methoxy-2-phenylbutyl)carbamate.
What is the SMILES notation for methyl N-(2-methoxy-2-phenylbutyl)carbamate?
The canonical SMILES for methyl N-(2-methoxy-2-phenylbutyl)carbamate is CCC(CNC(=O)OC)(OC)c1ccccc1.
What is the InChIKey of methyl N-(2-methoxy-2-phenylbutyl)carbamate?
The InChIKey is ZMIQNLCVRNTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-13(17-3,10-14-12(15)16-2)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,14,15).
What are the key properties of methyl N-(2-methoxy-2-phenylbutyl)carbamate?
methyl N-(2-methoxy-2-phenylbutyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methoxy-2-phenylbutyl)carbamate is sourced from PubChem (CID 71810718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).