butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen

C13H28N2O3 — CID 143832945

IUPACbutyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen
SMILESCCCCNC(=O)CN(CC)C(=O)OCCCC.[H][H]
InChIInChI=1S/C13H26N2O3.H2/c1-4-7-9-14-12(16)11-15(6-3)13(17)18-10-8-5-2;/h4-11H2,1-3H3,(H,14,16);1H
InChIKeyZZNGVRMISVIWSB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.41
Rot. Bonds9

About butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen

butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen (PubChem CID 143832945) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen.

Molecular Properties

Compound Namebutyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen
PubChem CID143832945
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Namebutyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen
SMILESCCCCNC(=O)CN(CC)C(=O)OCCCC.[H][H]
InChIInChI=1S/C13H26N2O3.H2/c1-4-7-9-14-12(16)11-15(6-3)13(17)18-10-8-5-2;/h4-11H2,1-3H3,(H,14,16);1H
InChIKeyZZNGVRMISVIWSB-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen?
The IUPAC name of butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen (CID 143832945) is butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen.
What is the SMILES notation for butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen?
The canonical SMILES for butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen is CCCCNC(=O)CN(CC)C(=O)OCCCC.[H][H].
What is the InChIKey of butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen?
The InChIKey is ZZNGVRMISVIWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3.H2/c1-4-7-9-14-12(16)11-15(6-3)13(17)18-10-8-5-2;/h4-11H2,1-3H3,(H,14,16);1H.
What are the key properties of butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen?
butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen has a molecular weight of 260.38 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-(butylamino)-2-oxoethyl]-N-ethylcarbamate;molecular hydrogen is sourced from PubChem (CID 143832945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).