2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide

C14H17NO2 — CID 2732049

IUPAC2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)oc2ccccc12
InChIInChI=1S/C14H17NO2/c1-3-8-15-14(16)9-12-10(2)17-13-7-5-4-6-11(12)13/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyYIICLRCDBWEKOO-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide

2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide (PubChem CID 2732049) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide
PubChem CID2732049
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)oc2ccccc12
InChIInChI=1S/C14H17NO2/c1-3-8-15-14(16)9-12-10(2)17-13-7-5-4-6-11(12)13/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyYIICLRCDBWEKOO-UHFFFAOYSA-N
XLogP2.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide?
The IUPAC name of 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide (CID 2732049) is 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide is CCCNC(=O)Cc1c(C)oc2ccccc12.
What is the InChIKey of 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide?
The InChIKey is YIICLRCDBWEKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-8-15-14(16)9-12-10(2)17-13-7-5-4-6-11(12)13/h4-7H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide?
2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide has a molecular weight of 231.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-benzofuran-3-yl)-N-propylacetamide is sourced from PubChem (CID 2732049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).