3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide

C12H22N2O5 — CID 167464067

IUPAC3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
SMILESO=CCCOCCNC(=O)CCOCCCNC=O
InChIInChI=1S/C12H22N2O5/c15-6-2-8-19-10-5-14-12(17)3-9-18-7-1-4-13-11-16/h6,11H,1-5,7-10H2,(H,13,16)(H,14,17)
InChIKeyINRJARFBRSGDEM-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.75
Rot. Bonds14

About 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide

3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide (PubChem CID 167464067) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
PubChem CID167464067
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
SMILESO=CCCOCCNC(=O)CCOCCCNC=O
InChIInChI=1S/C12H22N2O5/c15-6-2-8-19-10-5-14-12(17)3-9-18-7-1-4-13-11-16/h6,11H,1-5,7-10H2,(H,13,16)(H,14,17)
InChIKeyINRJARFBRSGDEM-UHFFFAOYSA-N
XLogP-0.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.75
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

3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid
CID 135199713
N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide
CID 126759423
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
CID 168992305
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
CID 170054090
N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619
3-[2-[2-[2-[3-[3-[3-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123748562
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301

Frequently Asked Questions

What is the IUPAC name of 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide?
The IUPAC name of 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide (CID 167464067) is 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide.
What is the SMILES notation for 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide?
The canonical SMILES for 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide is O=CCCOCCNC(=O)CCOCCCNC=O.
What is the InChIKey of 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide?
The InChIKey is INRJARFBRSGDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c15-6-2-8-19-10-5-14-12(17)3-9-18-7-1-4-13-11-16/h6,11H,1-5,7-10H2,(H,13,16)(H,14,17).
What are the key properties of 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide?
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of -0.75, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide is sourced from PubChem (CID 167464067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).