ethyl N-benzyl-N-cyclopropylcarbamate

C13H17NO2 — CID 17298

IUPACethyl N-benzyl-N-cyclopropylcarbamate
SMILESCCOC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyOGXBVBBMMWSZJO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.81
Rot. Bonds4

About ethyl N-benzyl-N-cyclopropylcarbamate

ethyl N-benzyl-N-cyclopropylcarbamate (PubChem CID 17298) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl N-benzyl-N-cyclopropylcarbamate.

Molecular Properties

Compound Nameethyl N-benzyl-N-cyclopropylcarbamate
PubChem CID17298
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl N-benzyl-N-cyclopropylcarbamate
SMILESCCOC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO2/c1-2-16-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyOGXBVBBMMWSZJO-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-benzyl-N-cyclopropylcarbamate?
The IUPAC name of ethyl N-benzyl-N-cyclopropylcarbamate (CID 17298) is ethyl N-benzyl-N-cyclopropylcarbamate.
What is the SMILES notation for ethyl N-benzyl-N-cyclopropylcarbamate?
The canonical SMILES for ethyl N-benzyl-N-cyclopropylcarbamate is CCOC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of ethyl N-benzyl-N-cyclopropylcarbamate?
The InChIKey is OGXBVBBMMWSZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-16-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of ethyl N-benzyl-N-cyclopropylcarbamate?
ethyl N-benzyl-N-cyclopropylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-benzyl-N-cyclopropylcarbamate is sourced from PubChem (CID 17298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).