1-methoxyethyl N-ethylcarbamate

C6H13NO3 — CID 139910851

IUPAC1-methoxyethyl N-ethylcarbamate
SMILESCCNC(=O)OC(C)OC
InChIInChI=1S/C6H13NO3/c1-4-7-6(8)10-5(2)9-3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyPMYMEWPCXMJQDH-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.72
Rot. Bonds3

About 1-methoxyethyl N-ethylcarbamate

1-methoxyethyl N-ethylcarbamate (PubChem CID 139910851) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-methoxyethyl N-ethylcarbamate.

Molecular Properties

Compound Name1-methoxyethyl N-ethylcarbamate
PubChem CID139910851
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-methoxyethyl N-ethylcarbamate
SMILESCCNC(=O)OC(C)OC
InChIInChI=1S/C6H13NO3/c1-4-7-6(8)10-5(2)9-3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyPMYMEWPCXMJQDH-UHFFFAOYSA-N
XLogP0.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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, N-propyl-, ethyl ester
CID 12199
ethyl N-(2-fluoroethyl)carbamate
CID 329723
Carbamic acid, (1-methoxyethyl)-, methyl ester
CID 11815400
Butyl ethylcarbamate
CID 14811667
Ethylurethan water
CID 129736285
2-fluoroethyl N-ethylcarbamate
CID 55286725
1-fluoroethyl N-(1-methoxyethyl)carbamate
CID 141619316
methyl N-(1-ethoxyethyl)carbamate
CID 12357615
ethyl N-(1-ethoxyethyl)carbamate
CID 15577788
ethyl N-[(1R,2R)-1,2-dideuteriopropyl]carbamate
CID 134854517
Ethyl 2,2-dimethoxyethylcarbamate
CID 10921057

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl N-ethylcarbamate?
The IUPAC name of 1-methoxyethyl N-ethylcarbamate (CID 139910851) is 1-methoxyethyl N-ethylcarbamate.
What is the SMILES notation for 1-methoxyethyl N-ethylcarbamate?
The canonical SMILES for 1-methoxyethyl N-ethylcarbamate is CCNC(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl N-ethylcarbamate?
The InChIKey is PMYMEWPCXMJQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4-7-6(8)10-5(2)9-3/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of 1-methoxyethyl N-ethylcarbamate?
1-methoxyethyl N-ethylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl N-ethylcarbamate is sourced from PubChem (CID 139910851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).