2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide

C15H19NO2 — CID 1285215

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
SMILESCc1cc(C)c2c(CC(=O)NC(C)C)coc2c1
InChIInChI=1S/C15H19NO2/c1-9(2)16-14(17)7-12-8-18-13-6-10(3)5-11(4)15(12)13/h5-6,8-9H,7H2,1-4H3,(H,16,17)
InChIKeyNSPIPUVWRULIQE-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds3

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide (PubChem CID 1285215) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
PubChem CID1285215
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
SMILESCc1cc(C)c2c(CC(=O)NC(C)C)coc2c1
InChIInChI=1S/C15H19NO2/c1-9(2)16-14(17)7-12-8-18-13-6-10(3)5-11(4)15(12)13/h5-6,8-9H,7H2,1-4H3,(H,16,17)
InChIKeyNSPIPUVWRULIQE-UHFFFAOYSA-N
XLogP3.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide
CID 10059864
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 9834952
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide
CID 18782973
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]-2-iodoacetamide
CID 18783013
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]prop-2-enamide
CID 18783048
6-Mapb
CID 122202866
AANAT Inhibitor, 8c
CID 44359018
N-[2-(2-ethenyl-8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 76321059
N-[2-(2-prop-2-enyl-8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 76328265
N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]acetamide
CID 127026423
2-(6-methyl-1-benzofuran-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 2564980
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 16437487

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide (CID 1285215) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide is Cc1cc(C)c2c(CC(=O)NC(C)C)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The InChIKey is NSPIPUVWRULIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)16-14(17)7-12-8-18-13-6-10(3)5-11(4)15(12)13/h5-6,8-9H,7H2,1-4H3,(H,16,17).
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide has a molecular weight of 245.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 1285215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).