20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide

C31H58N2O5 — CID 168992305

IUPAC20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
SMILESO=CCCCCCCCCCCCCCCCCCCC(=O)NCCCC(=O)NCCOCCCCC=O
InChIInChI=1S/C31H58N2O5/c34-26-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-30(36)32-24-21-23-31(37)33-25-29-38-28-20-16-19-27-35/h26-27H,1-25,28-29H2,(H,32,36)(H,33,37)
InChIKeyIMDFVEAJTYNYBX-UHFFFAOYSA-N
MW538.81 g/mol
LogP6.61
Rot. Bonds31

About 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide

20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide (PubChem CID 168992305) has the molecular formula C31H58N2O5 and a molecular weight of 538.81 g/mol. Its IUPAC name is 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide.

Molecular Properties

Compound Name20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
PubChem CID168992305
Molecular FormulaC31H58N2O5
Molecular Weight538.81 g/mol
Exact Mass538.43
IUPAC Name20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
SMILESO=CCCCCCCCCCCCCCCCCCCC(=O)NCCCC(=O)NCCOCCCCC=O
InChIInChI=1S/C31H58N2O5/c34-26-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-30(36)32-24-21-23-31(37)33-25-29-38-28-20-16-19-27-35/h26-27H,1-25,28-29H2,(H,32,36)(H,33,37)
InChIKeyIMDFVEAJTYNYBX-UHFFFAOYSA-N
XLogP6.61
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.81
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal
CID 169217801
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CID 173042619
N-[3-[4-[3-(undec-10-enoylamino)propoxy]butoxy]propyl]undec-10-enamide
CID 71392102
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
6-[(2-methylpropan-2-yl)oxy]-N-(6-oxohexyl)hexanamide
CID 126707815
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067
[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate
CID 58571150
14-oxo-N-pentadecyltetradecanamide
CID 90756507
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
N-(9-aminononyl)-9-oxononanamide
CID 174335255

Frequently Asked Questions

What is the IUPAC name of 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide?
The IUPAC name of 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide (CID 168992305) is 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide.
What is the SMILES notation for 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide?
The canonical SMILES for 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide is O=CCCCCCCCCCCCCCCCCCCC(=O)NCCCC(=O)NCCOCCCCC=O.
What is the InChIKey of 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide?
The InChIKey is IMDFVEAJTYNYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N2O5/c34-26-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-22-30(36)32-24-21-23-31(37)33-25-29-38-28-20-16-19-27-35/h26-27H,1-25,28-29H2,(H,32,36)(H,33,37).
What are the key properties of 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide?
20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide has a molecular weight of 538.81 g/mol, XLogP of 6.61, 31 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide is sourced from PubChem (CID 168992305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).