N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide

C21H25NO2 — CID 46090223

IUPACN-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1Cc2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C21H25NO2/c1-14-7-5-6-8-18(14)20(23)22-13-17-12-15-11-16(21(2,3)4)9-10-19(15)24-17/h5-11,17H,12-13H2,1-4H3,(H,22,23)
InChIKeyLQGRGRAFIMKSFW-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.03
Rot. Bonds3

About N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide

N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide (PubChem CID 46090223) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide
PubChem CID46090223
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1Cc2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C21H25NO2/c1-14-7-5-6-8-18(14)20(23)22-13-17-12-15-11-16(21(2,3)4)9-10-19(15)24-17/h5-11,17H,12-13H2,1-4H3,(H,22,23)
InChIKeyLQGRGRAFIMKSFW-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956
2-methyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090158
(E)-N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 46090240
N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
CID 46090243
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 92757935
N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 46704833
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
CID 42406034
4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
CID 42345096
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55621067
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-3-nitrobenzamide
CID 51938161

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide (CID 46090223) is N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC1Cc2cc(C(C)(C)C)ccc2O1.
What is the InChIKey of N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide?
The InChIKey is LQGRGRAFIMKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14-7-5-6-8-18(14)20(23)22-13-17-12-15-11-16(21(2,3)4)9-10-19(15)24-17/h5-11,17H,12-13H2,1-4H3,(H,22,23).
What are the key properties of N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide?
N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 46090223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).