1-ethoxyethyl N-methylcarbamate

C6H13NO3 — CID 57018605

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

About 1-ethoxyethyl N-methylcarbamate

1-ethoxyethyl N-methylcarbamate (PubChem CID 57018605) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-ethoxyethyl N-methylcarbamate.

Molecular Properties

Compound Name1-ethoxyethyl N-methylcarbamate
PubChem CID57018605
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-ethoxyethyl N-methylcarbamate
SMILESCCOC(C)OC(=O)NC
InChIInChI=1S/C6H13NO3/c1-4-9-5(2)10-6(8)7-3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyNMFDJWXZRTVLOF-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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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl N-methylcarbamate?
The IUPAC name of 1-ethoxyethyl N-methylcarbamate (CID 57018605) is 1-ethoxyethyl N-methylcarbamate.
What is the SMILES notation for 1-ethoxyethyl N-methylcarbamate?
The canonical SMILES for 1-ethoxyethyl N-methylcarbamate is CCOC(C)OC(=O)NC.
What is the InChIKey of 1-ethoxyethyl N-methylcarbamate?
The InChIKey is NMFDJWXZRTVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4-9-5(2)10-6(8)7-3/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of 1-ethoxyethyl N-methylcarbamate?
1-ethoxyethyl N-methylcarbamate 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-ethoxyethyl N-methylcarbamate is sourced from PubChem (CID 57018605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).