2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate

C11H24N2O3 — CID 87800399

IUPAC2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
SMILESCCCCNCCOCCOC(=O)NCC
InChIInChI=1S/C11H24N2O3/c1-3-5-6-12-7-8-15-9-10-16-11(14)13-4-2/h12H,3-10H2,1-2H3,(H,13,14)
InChIKeyDNSLDXXPYHIQIN-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.14
Rot. Bonds10

About 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate

2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate (PubChem CID 87800399) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
PubChem CID87800399
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
SMILESCCCCNCCOCCOC(=O)NCC
InChIInChI=1S/C11H24N2O3/c1-3-5-6-12-7-8-15-9-10-16-11(14)13-4-2/h12H,3-10H2,1-2H3,(H,13,14)
InChIKeyDNSLDXXPYHIQIN-UHFFFAOYSA-N
XLogP1.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.14
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-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
CID 58912391
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677
2-[2-(butylamino)ethoxy]ethyl benzoate
CID 82532254
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
2-[2-(butylamino)ethoxy]ethyl pyridine-4-carboxylate
CID 82532252
2-[2-(ethylamino)ethoxy]ethyl N-methylcarbamate
CID 87801035
2-[2-(propylamino)ethoxy]ethyl pentanoate
CID 82532625
2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate
CID 82532258
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate?
The IUPAC name of 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate (CID 87800399) is 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate.
What is the SMILES notation for 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate?
The canonical SMILES for 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate is CCCCNCCOCCOC(=O)NCC.
What is the InChIKey of 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate?
The InChIKey is DNSLDXXPYHIQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-3-5-6-12-7-8-15-9-10-16-11(14)13-4-2/h12H,3-10H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate?
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate has a molecular weight of 232.32 g/mol, XLogP of 1.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate is sourced from PubChem (CID 87800399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).