N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide

C18H22N2O3 — CID 2570912

IUPACN-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=O)C(=O)Cc1coc2cc3c(cc12)CCC3
InChIInChI=1S/C18H22N2O3/c1-11(2)20(9-17(19)21)18(22)8-14-10-23-16-7-13-5-3-4-12(13)6-15(14)16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,19,21)
InChIKeyGXYYUTFNESXKHQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.19
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide

N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide (PubChem CID 2570912) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide
PubChem CID2570912
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=O)C(=O)Cc1coc2cc3c(cc12)CCC3
InChIInChI=1S/C18H22N2O3/c1-11(2)20(9-17(19)21)18(22)8-14-10-23-16-7-13-5-3-4-12(13)6-15(14)16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,19,21)
InChIKeyGXYYUTFNESXKHQ-UHFFFAOYSA-N
XLogP2.19
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide (CID 2570912) is N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide is CC(C)N(CC(N)=O)C(=O)Cc1coc2cc3c(cc12)CCC3.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide?
The InChIKey is GXYYUTFNESXKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11(2)20(9-17(19)21)18(22)8-14-10-23-16-7-13-5-3-4-12(13)6-15(14)16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,19,21).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide?
N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide has a molecular weight of 314.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 2570912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).