2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide

C11H16N2O3 — CID 166990918

IUPAC2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide
SMILESC=C1C=CC(=O)N1CCNC(=O)COCC
InChIInChI=1S/C11H16N2O3/c1-3-16-8-10(14)12-6-7-13-9(2)4-5-11(13)15/h4-5H,2-3,6-8H2,1H3,(H,12,14)
InChIKeyVBTRWEFEAQMPDZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds6

About 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide

2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide (PubChem CID 166990918) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide
PubChem CID166990918
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide
SMILESC=C1C=CC(=O)N1CCNC(=O)COCC
InChIInChI=1S/C11H16N2O3/c1-3-16-8-10(14)12-6-7-13-9(2)4-5-11(13)15/h4-5H,2-3,6-8H2,1H3,(H,12,14)
InChIKeyVBTRWEFEAQMPDZ-UHFFFAOYSA-N
XLogP0.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 88941444
N-(5,5-dimethylhexyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 134401994
N-methyl-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide
CID 91000242
2-[[2-[2-[2-[4-(2,5-dioxopyrrol-1-yl)butylamino]-2-oxoethoxy]ethoxy]acetyl]amino]acetic acid
CID 59709152
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
3-(2,5-dioxopyrrol-1-yl)-N-[2-(1-ethoxypropan-2-yloxy)ethyl]propanamide
CID 171530100
2-amino-N-[4-(hexylamino)-4-oxobutyl]-6-(2-methylidene-5-oxopyrrol-1-yl)hexanamide
CID 142928624
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 135174898
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-ethoxy-N-(3-hydroxypropyl)acetamide
CID 43419254

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide (CID 166990918) is 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide is C=C1C=CC(=O)N1CCNC(=O)COCC.
What is the InChIKey of 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide?
The InChIKey is VBTRWEFEAQMPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-8-10(14)12-6-7-13-9(2)4-5-11(13)15/h4-5H,2-3,6-8H2,1H3,(H,12,14).
What are the key properties of 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide?
2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]acetamide is sourced from PubChem (CID 166990918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).