ethoxymethyl N-ethylcarbamate

C6H13NO3 — CID 88999671

IUPACethoxymethyl N-ethylcarbamate
SMILESCCNC(=O)OCOCC
InChIInChI=1S/C6H13NO3/c1-3-7-6(8)10-5-9-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyZVICLOUQYITPNT-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.73
Rot. Bonds4

About ethoxymethyl N-ethylcarbamate

ethoxymethyl N-ethylcarbamate (PubChem CID 88999671) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethoxymethyl N-ethylcarbamate.

Molecular Properties

Compound Nameethoxymethyl N-ethylcarbamate
PubChem CID88999671
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethoxymethyl N-ethylcarbamate
SMILESCCNC(=O)OCOCC
InChIInChI=1S/C6H13NO3/c1-3-7-6(8)10-5-9-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyZVICLOUQYITPNT-UHFFFAOYSA-N
XLogP0.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, ethyl-, ethyl ester
CID 12195
Carbamic acid, (1-methoxyethyl)-, methyl ester
CID 11815400
Methyl (1-methoxypropyl)carbamate
CID 54361568
Ethylurethan water
CID 129736285
Methyl 2-fluoro-1-methoxyethylcarbamate
CID 14512866
methyl N-(1-ethoxyethyl)carbamate
CID 12357615
ethyl N-(1-ethoxyethyl)carbamate
CID 15577788
Methyl (2,2-dimethoxyethyl)carbamate
CID 12509704
propyl N-ethylcarbamate
CID 12728793
ethylcarbamoyloxymethyl N-ethylcarbamate
CID 20609207
ethyl N-(114C)ethylcarbamate
CID 53866231
methoxymethyl N-ethylcarbamate
CID 53938467

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl N-ethylcarbamate?
The IUPAC name of ethoxymethyl N-ethylcarbamate (CID 88999671) is ethoxymethyl N-ethylcarbamate.
What is the SMILES notation for ethoxymethyl N-ethylcarbamate?
The canonical SMILES for ethoxymethyl N-ethylcarbamate is CCNC(=O)OCOCC.
What is the InChIKey of ethoxymethyl N-ethylcarbamate?
The InChIKey is ZVICLOUQYITPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-7-6(8)10-5-9-4-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of ethoxymethyl N-ethylcarbamate?
ethoxymethyl N-ethylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl N-ethylcarbamate is sourced from PubChem (CID 88999671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).