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

C12H26N2O4 — CID 87800819

IUPAC2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCOCCOCCNC
InChIInChI=1S/C12H26N2O4/c1-3-4-5-14-12(15)18-11-10-17-9-8-16-7-6-13-2/h13H,3-11H2,1-2H3,(H,14,15)
InChIKeyVZZORZXBBPYFCG-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.77
Rot. Bonds12

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

2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate (PubChem CID 87800819) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate.

Molecular Properties

Compound Name2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
PubChem CID87800819
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCOCCOCCNC
InChIInChI=1S/C12H26N2O4/c1-3-4-5-14-12(15)18-11-10-17-9-8-16-7-6-13-2/h13H,3-11H2,1-2H3,(H,14,15)
InChIKeyVZZORZXBBPYFCG-UHFFFAOYSA-N
XLogP0.77
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl N-butylcarbamate;molecular hydrogen
CID 142164887
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
CID 87799923
2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 142392004
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
CID 58912391
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate
CID 150053438
2-(propylamino)ethyl N-butylcarbamate
CID 79338122

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate?
The IUPAC name of 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate (CID 87800819) is 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate.
What is the SMILES notation for 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate?
The canonical SMILES for 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate is CCCCNC(=O)OCCOCCOCCNC.
What is the InChIKey of 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate?
The InChIKey is VZZORZXBBPYFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-3-4-5-14-12(15)18-11-10-17-9-8-16-7-6-13-2/h13H,3-11H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate?
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate has a molecular weight of 262.35 g/mol, XLogP of 0.77, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate is sourced from PubChem (CID 87800819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).