2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide

C14H17NO2 — CID 18872376

IUPAC2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
SMILESCc1ccc2occ(CC(=O)NC(C)C)c2c1
InChIInChI=1S/C14H17NO2/c1-9(2)15-14(16)7-11-8-17-13-5-4-10(3)6-12(11)13/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChIKeyISPMGKXTELHNRD-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.81
Rot. Bonds3

About 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide

2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide (PubChem CID 18872376) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
PubChem CID18872376
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
SMILESCc1ccc2occ(CC(=O)NC(C)C)c2c1
InChIInChI=1S/C14H17NO2/c1-9(2)15-14(16)7-11-8-17-13-5-4-10(3)6-12(11)13/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChIKeyISPMGKXTELHNRD-UHFFFAOYSA-N
XLogP2.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
2-(5-methyl-1-benzofuran-3-yl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 18872422
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
(4-methylphenyl) 2-(5-methyl-1-benzofuran-3-yl)acetate
CID 18872439
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
N,N-diethyl-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 110488649
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide (CID 18872376) is 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide is Cc1ccc2occ(CC(=O)NC(C)C)c2c1.
What is the InChIKey of 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The InChIKey is ISPMGKXTELHNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)15-14(16)7-11-8-17-13-5-4-10(3)6-12(11)13/h4-6,8-9H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide has a molecular weight of 231.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 18872376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).