[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate

C13H22N2O6 — CID 58571150

IUPAC[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate
SMILESO=CCCCNC(=O)COC(=O)NCCOCCCC=O
InChIInChI=1S/C13H22N2O6/c16-7-2-1-5-14-12(18)11-21-13(19)15-6-10-20-9-4-3-8-17/h7-8H,1-6,9-11H2,(H,14,18)(H,15,19)
InChIKeyYBWGAKUFVIZQSP-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.20
Rot. Bonds13

About [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate

[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate (PubChem CID 58571150) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate.

Molecular Properties

Compound Name[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate
PubChem CID58571150
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate
SMILESO=CCCCNC(=O)COC(=O)NCCOCCCC=O
InChIInChI=1S/C13H22N2O6/c16-7-2-1-5-14-12(18)11-21-13(19)15-6-10-20-9-4-3-8-17/h7-8H,1-6,9-11H2,(H,14,18)(H,15,19)
InChIKeyYBWGAKUFVIZQSP-UHFFFAOYSA-N
XLogP-0.20
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl N-[2-[2-[2-[2-(4-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 58331196
20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
CID 168992305
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
ethyl N-(5-oxopentyl)carbamate
CID 58601506
ethyl N-[6-(ethoxycarbonylamino)-1-oxo-1-[2-(4-oxobutoxy)ethylamino]hexan-2-yl]carbamate;formaldehyde;pentanedial
CID 90701699
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067
ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal
CID 169217801
2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
CID 172626027
3-[2-[2-[3-(carboxyamino)propoxycarbonylamino]ethoxy]ethylcarbamoyloxy]propylcarbamic acid
CID 19751998
N-(2-ethoxyethyl)-2-(2-oxoethoxy)acetamide
CID 139515963
16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate?
The IUPAC name of [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate (CID 58571150) is [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate.
What is the SMILES notation for [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate?
The canonical SMILES for [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate is O=CCCCNC(=O)COC(=O)NCCOCCCC=O.
What is the InChIKey of [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate?
The InChIKey is YBWGAKUFVIZQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c16-7-2-1-5-14-12(18)11-21-13(19)15-6-10-20-9-4-3-8-17/h7-8H,1-6,9-11H2,(H,14,18)(H,15,19).
What are the key properties of [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate?
[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate has a molecular weight of 302.33 g/mol, XLogP of -0.20, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate is sourced from PubChem (CID 58571150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).