methyl 2-(diethylcarbamoyloxy)benzoate

C13H17NO4 — CID 46213334

IUPACmethyl 2-(diethylcarbamoyloxy)benzoate
SMILESCCN(CC)C(=O)Oc1ccccc1C(=O)OC
InChIInChI=1S/C13H17NO4/c1-4-14(5-2)13(16)18-11-9-7-6-8-10(11)12(15)17-3/h6-9H,4-5H2,1-3H3
InChIKeySLQZUCISRZLIAO-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-(diethylcarbamoyloxy)benzoate

methyl 2-(diethylcarbamoyloxy)benzoate (PubChem CID 46213334) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-(diethylcarbamoyloxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(diethylcarbamoyloxy)benzoate
PubChem CID46213334
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-(diethylcarbamoyloxy)benzoate
SMILESCCN(CC)C(=O)Oc1ccccc1C(=O)OC
InChIInChI=1S/C13H17NO4/c1-4-14(5-2)13(16)18-11-9-7-6-8-10(11)12(15)17-3/h6-9H,4-5H2,1-3H3
InChIKeySLQZUCISRZLIAO-UHFFFAOYSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylcarbamoyloxy)benzoate?
The IUPAC name of methyl 2-(diethylcarbamoyloxy)benzoate (CID 46213334) is methyl 2-(diethylcarbamoyloxy)benzoate.
What is the SMILES notation for methyl 2-(diethylcarbamoyloxy)benzoate?
The canonical SMILES for methyl 2-(diethylcarbamoyloxy)benzoate is CCN(CC)C(=O)Oc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(diethylcarbamoyloxy)benzoate?
The InChIKey is SLQZUCISRZLIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-14(5-2)13(16)18-11-9-7-6-8-10(11)12(15)17-3/h6-9H,4-5H2,1-3H3.
What are the key properties of methyl 2-(diethylcarbamoyloxy)benzoate?
methyl 2-(diethylcarbamoyloxy)benzoate has a molecular weight of 251.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylcarbamoyloxy)benzoate is sourced from PubChem (CID 46213334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).