N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide

C17H17NO2 — CID 110751726

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1COc2ccccc21
InChIInChI=1S/C17H17NO2/c1-12-6-2-3-7-14(12)17(19)18-10-13-11-20-16-9-5-4-8-15(13)16/h2-9,13H,10-11H2,1H3,(H,18,19)
InChIKeyBXONNBOSAUNRFW-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.90
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide (PubChem CID 110751726) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
PubChem CID110751726
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1COc2ccccc21
InChIInChI=1S/C17H17NO2/c1-12-6-2-3-7-14(12)17(19)18-10-13-11-20-16-9-5-4-8-15(13)16/h2-9,13H,10-11H2,1H3,(H,18,19)
InChIKeyBXONNBOSAUNRFW-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
CID 51166783
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 126813290
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-ethoxypyridine-3-carboxamide
CID 126855511
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenyltriazole-4-carboxamide
CID 126851544
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide (CID 110751726) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide?
The InChIKey is BXONNBOSAUNRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-6-2-3-7-14(12)17(19)18-10-13-11-20-16-9-5-4-8-15(13)16/h2-9,13H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide is sourced from PubChem (CID 110751726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).