N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide

C12H22N2O5 — CID 170054090

IUPACN-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCOCCOCCNC=O
InChIInChI=1S/C12H22N2O5/c1-11(16)2-3-12(17)14-5-7-19-9-8-18-6-4-13-10-15/h10H,2-9H2,1H3,(H,13,15)(H,14,17)
InChIKeyMPJVSRWIUZDLLG-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.75
Rot. Bonds13

About N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide

N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide (PubChem CID 170054090) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
PubChem CID170054090
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC NameN-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCOCCOCCNC=O
InChIInChI=1S/C12H22N2O5/c1-11(16)2-3-12(17)14-5-7-19-9-8-18-6-4-13-10-15/h10H,2-9H2,1H3,(H,13,15)(H,14,17)
InChIKeyMPJVSRWIUZDLLG-UHFFFAOYSA-N
XLogP-0.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
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

ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
CID 156865396
3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid
CID 135199713
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide (CID 170054090) is N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCOCCOCCNC=O.
What is the InChIKey of N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide?
The InChIKey is MPJVSRWIUZDLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-11(16)2-3-12(17)14-5-7-19-9-8-18-6-4-13-10-15/h10H,2-9H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide?
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide has a molecular weight of 274.32 g/mol, XLogP of -0.75, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide is sourced from PubChem (CID 170054090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).