3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide

C11H20N2O5 — CID 167262537

IUPAC3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide
SMILESCC(CC=O)NC(=O)CCOCCOCCN=O
InChIInChI=1S/C11H20N2O5/c1-10(2-5-14)13-11(15)3-6-17-8-9-18-7-4-12-16/h5,10H,2-4,6-9H2,1H3,(H,13,15)
InChIKeyFWKQRSAHYLRWKT-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.27
Rot. Bonds12

About 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide

3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide (PubChem CID 167262537) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide.

Molecular Properties

Compound Name3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide
PubChem CID167262537
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide
SMILESCC(CC=O)NC(=O)CCOCCOCCN=O
InChIInChI=1S/C11H20N2O5/c1-10(2-5-14)13-11(15)3-6-17-8-9-18-7-4-12-16/h5,10H,2-4,6-9H2,1H3,(H,13,15)
InChIKeyFWKQRSAHYLRWKT-UHFFFAOYSA-N
XLogP0.27
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
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

N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
3-(3-propoxypropanoylamino)butanoic acid
CID 62686783
[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
4-azido-N-[1-[2-[2-(4-azidobutanoylamino)propoxy]ethoxy]propan-2-yl]butanamide
CID 59248185
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
3-[2-(3,3-dimethylbutoxy)ethoxy]-N-propan-2-ylpropanamide
CID 155795090
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
N-(4-chlorobutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212622
(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid
CID 156877122

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide?
The IUPAC name of 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide (CID 167262537) is 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide.
What is the SMILES notation for 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide?
The canonical SMILES for 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide is CC(CC=O)NC(=O)CCOCCOCCN=O.
What is the InChIKey of 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide?
The InChIKey is FWKQRSAHYLRWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-10(2-5-14)13-11(15)3-6-17-8-9-18-7-4-12-16/h5,10H,2-4,6-9H2,1H3,(H,13,15).
What are the key properties of 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide?
3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide has a molecular weight of 260.29 g/mol, XLogP of 0.27, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-nitrosoethoxy)ethoxy]-N-(4-oxobutan-2-yl)propanamide is sourced from PubChem (CID 167262537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).