2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide

C20H19NO4 — CID 163379359

IUPAC2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1COC1
InChIInChI=1S/C20H19NO4/c1-13-19(20(22)21-15-11-23-12-15)17-9-16(7-8-18(17)25-13)24-10-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,22)
InChIKeyMZWKNXWDIXFPDU-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.45
Rot. Bonds5

About 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide

2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide (PubChem CID 163379359) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
PubChem CID163379359
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1COC1
InChIInChI=1S/C20H19NO4/c1-13-19(20(22)21-15-11-23-12-15)17-9-16(7-8-18(17)25-13)24-10-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,22)
InChIKeyMZWKNXWDIXFPDU-UHFFFAOYSA-N
XLogP3.45
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
(1R,5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 170426835
(2S,4R)-4-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 163379337
tert-butyl (5R)-3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 163379519
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
tert-butyl 3-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 175486639
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
tert-butyl 2-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 163379523
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379323
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379316
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide (CID 163379359) is 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)NC1COC1.
What is the InChIKey of 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The InChIKey is MZWKNXWDIXFPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-19(20(22)21-15-11-23-12-15)17-9-16(7-8-18(17)25-13)24-10-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,22).
What are the key properties of 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide?
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).