2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide

C9H14N2O2 — CID 103716164

IUPAC2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCOCC(=O)NCCn1cccc1
InChIInChI=1S/C9H14N2O2/c1-13-8-9(12)10-4-7-11-5-2-3-6-11/h2-3,5-6H,4,7-8H2,1H3,(H,10,12)
InChIKeyKIXZUGIEXYAXJP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.25
Rot. Bonds5

About 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide

2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 103716164) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID103716164
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCOCC(=O)NCCn1cccc1
InChIInChI=1S/C9H14N2O2/c1-13-8-9(12)10-4-7-11-5-2-3-6-11/h2-3,5-6H,4,7-8H2,1H3,(H,10,12)
InChIKeyKIXZUGIEXYAXJP-UHFFFAOYSA-N
XLogP0.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725449
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
N-(2-methoxyethyl)-3-pyrrol-1-ylpropanamide
CID 110688667
4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide
CID 103846233
2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725431
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
N'-(cyanomethyl)-N-(2-pyrrol-1-ylethyl)oxamide
CID 106391158
4-(methoxymethyl)-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
CID 106391030
2-hydroxy-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106509780
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
CID 63810814
N-(2-cyanoethyl)-2-methoxyacetamide
CID 60668880
2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide
CID 146316634

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide (CID 103716164) is 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide is COCC(=O)NCCn1cccc1.
What is the InChIKey of 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is KIXZUGIEXYAXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-13-8-9(12)10-4-7-11-5-2-3-6-11/h2-3,5-6H,4,7-8H2,1H3,(H,10,12).
What are the key properties of 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide?
2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 182.22 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 103716164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).