benzyl ethylcarbamoyl carbonate

C11H13NO4 — CID 174255630

IUPACbenzyl ethylcarbamoyl carbonate
SMILESCCNC(=O)OC(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO4/c1-2-12-10(13)16-11(14)15-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChIKeyVVNVRLFELSIPMZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.07
Rot. Bonds3

About benzyl ethylcarbamoyl carbonate

benzyl ethylcarbamoyl carbonate (PubChem CID 174255630) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is benzyl ethylcarbamoyl carbonate.

Molecular Properties

Compound Namebenzyl ethylcarbamoyl carbonate
PubChem CID174255630
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namebenzyl ethylcarbamoyl carbonate
SMILESCCNC(=O)OC(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO4/c1-2-12-10(13)16-11(14)15-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13)
InChIKeyVVNVRLFELSIPMZ-UHFFFAOYSA-N
XLogP2.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
phenylmethoxycarbonyl acetate
CID 88811715
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl propanoate;hydrochloride
CID 140986165
[5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate
CID 59982571
benzyl diiodosulfamoylcarbamoyl carbonate
CID 170061871
phenylmethoxycarbonyl 3-aminopropanoate
CID 174772749
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
phenylmethoxycarbonyl 2-methylbut-2-enoate
CID 174154579
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972

Frequently Asked Questions

What is the IUPAC name of benzyl ethylcarbamoyl carbonate?
The IUPAC name of benzyl ethylcarbamoyl carbonate (CID 174255630) is benzyl ethylcarbamoyl carbonate.
What is the SMILES notation for benzyl ethylcarbamoyl carbonate?
The canonical SMILES for benzyl ethylcarbamoyl carbonate is CCNC(=O)OC(=O)OCc1ccccc1.
What is the InChIKey of benzyl ethylcarbamoyl carbonate?
The InChIKey is VVNVRLFELSIPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-12-10(13)16-11(14)15-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13).
What are the key properties of benzyl ethylcarbamoyl carbonate?
benzyl ethylcarbamoyl carbonate has a molecular weight of 223.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl ethylcarbamoyl carbonate is sourced from PubChem (CID 174255630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).