3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide

C21H22N2O3 — CID 26072070

IUPAC3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2oc3ccccc3c2C)c(C)c1
InChIInChI=1S/C21H22N2O3/c1-12-9-13(2)19(14(3)10-12)23-18(24)11-22-21(25)20-15(4)16-7-5-6-8-17(16)26-20/h5-10H,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyNXSDVRSQESZGRL-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.03
Rot. Bonds4

About 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide

3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 26072070) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
PubChem CID26072070
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2oc3ccccc3c2C)c(C)c1
InChIInChI=1S/C21H22N2O3/c1-12-9-13(2)19(14(3)10-12)23-18(24)11-22-21(25)20-15(4)16-7-5-6-8-17(16)26-20/h5-10H,11H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyNXSDVRSQESZGRL-UHFFFAOYSA-N
XLogP4.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 16519960
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 17494612
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18112860
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
N-[2-[2-(2,4,6-trimethylphenyl)acetyl]-1-benzofuran-3-yl]propanamide
CID 50742212

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide (CID 26072070) is 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2oc3ccccc3c2C)c(C)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is NXSDVRSQESZGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-12-9-13(2)19(14(3)10-12)23-18(24)11-22-21(25)20-15(4)16-7-5-6-8-17(16)26-20/h5-10H,11H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26072070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).