5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

C16H21NO2 — CID 19241055

IUPAC5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCC(C)C)c(C)c2c1
InChIInChI=1S/C16H21NO2/c1-5-12-6-7-14-13(8-12)11(4)15(19-14)16(18)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKeyIFIHZXRDKWEMCS-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.69
Rot. Bonds4

About 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide

5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 19241055) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
PubChem CID19241055
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCC(C)C)c(C)c2c1
InChIInChI=1S/C16H21NO2/c1-5-12-6-7-14-13(8-12)11(4)15(19-14)16(18)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,17,18)
InChIKeyIFIHZXRDKWEMCS-UHFFFAOYSA-N
XLogP3.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 19241107
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 91957127
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 118984805
5-ethyl-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19241157

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide (CID 19241055) is 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)NCC(C)C)c(C)c2c1.
What is the InChIKey of 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is IFIHZXRDKWEMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-5-12-6-7-14-13(8-12)11(4)15(19-14)16(18)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide?
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19241055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).