2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate

C7H16N2O3 — CID 87799923

IUPAC2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
SMILESCNCCOCCOC(=O)NC
InChIInChI=1S/C7H16N2O3/c1-8-3-4-11-5-6-12-7(10)9-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyINRROROZXRYOQE-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.42
Rot. Bonds6

About 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate

2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate (PubChem CID 87799923) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
PubChem CID87799923
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
SMILESCNCCOCCOC(=O)NC
InChIInChI=1S/C7H16N2O3/c1-8-3-4-11-5-6-12-7(10)9-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKeyINRROROZXRYOQE-UHFFFAOYSA-N
XLogP-0.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 142392004
2-[2-(ethylamino)ethoxy]ethyl N-methylcarbamate
CID 87801035
2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
CID 158533955
2-(2-chloroethoxy)ethyl N-methylcarbamate
CID 103970595
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate?
The IUPAC name of 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate (CID 87799923) is 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate?
The canonical SMILES for 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate is CNCCOCCOC(=O)NC.
What is the InChIKey of 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate?
The InChIKey is INRROROZXRYOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-8-3-4-11-5-6-12-7(10)9-2/h8H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate?
2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate has a molecular weight of 176.22 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate is sourced from PubChem (CID 87799923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).