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

C11H18N2O2 — CID 103725449

IUPAC2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCCCOCC(=O)NCCn1cccc1
InChIInChI=1S/C11H18N2O2/c1-2-9-15-10-11(14)12-5-8-13-6-3-4-7-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,12,14)
InChIKeyVBRNWEBSSXPGKE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.03
Rot. Bonds7

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

2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 103725449) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID103725449
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCCCOCC(=O)NCCn1cccc1
InChIInChI=1S/C11H18N2O2/c1-2-9-15-10-11(14)12-5-8-13-6-3-4-7-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,12,14)
InChIKeyVBRNWEBSSXPGKE-UHFFFAOYSA-N
XLogP1.03
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103716164
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide
CID 103846233
1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
N-(3-hydroxypentyl)-2-propoxyacetamide
CID 103774767
N-(5-iodopentyl)-2-propoxyacetamide
CID 107941565
N-(2-methoxyethyl)-3-pyrrol-1-ylpropanamide
CID 110688667
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide (CID 103725449) is 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide is CCCOCC(=O)NCCn1cccc1.
What is the InChIKey of 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is VBRNWEBSSXPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-9-15-10-11(14)12-5-8-13-6-3-4-7-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,12,14).
What are the key properties of 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide?
2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 210.28 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 103725449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).