N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

C16H21NO2 — CID 19241054

IUPACN-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NC(C)(C)C)c(C)c2c1
InChIInChI=1S/C16H21NO2/c1-6-11-7-8-13-12(9-11)10(2)14(19-13)15(18)17-16(3,4)5/h7-9H,6H2,1-5H3,(H,17,18)
InChIKeyLCPFXIDQZCVQQC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.83
Rot. Bonds2

About N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 19241054) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID19241054
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NC(C)(C)C)c(C)c2c1
InChIInChI=1S/C16H21NO2/c1-6-11-7-8-13-12(9-11)10(2)14(19-13)15(18)17-16(3,4)5/h7-9H,6H2,1-5H3,(H,17,18)
InChIKeyLCPFXIDQZCVQQC-UHFFFAOYSA-N
XLogP3.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102534728
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
5-ethyl-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19241218
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097
5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241179
N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241153

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide (CID 19241054) is N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)NC(C)(C)C)c(C)c2c1.
What is the InChIKey of N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LCPFXIDQZCVQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-6-11-7-8-13-12(9-11)10(2)14(19-13)15(18)17-16(3,4)5/h7-9H,6H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide?
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19241054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).