2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide

C18H19NO2 — CID 163619458

IUPAC2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Cc2cccc(C(=O)NCCc3ccccc3)c2O1
InChIInChI=1S/C18H19NO2/c1-13-12-15-8-5-9-16(17(15)21-13)18(20)19-11-10-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,19,20)
InChIKeyHMVWYYUMCPHKFE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.98
Rot. Bonds4

About 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide

2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 163619458) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID163619458
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC1Cc2cccc(C(=O)NCCc3ccccc3)c2O1
InChIInChI=1S/C18H19NO2/c1-13-12-15-8-5-9-16(17(15)21-13)18(20)19-11-10-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,19,20)
InChIKeyHMVWYYUMCPHKFE-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
4-amino-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
CID 139906108
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
(1S,6S)-6-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1236317
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
2-benzylsulfonyl-N-(2-phenylethyl)benzamide
CID 5297896
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
CID 6988702
2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
CID 6988700
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide (CID 163619458) is 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide is CC1Cc2cccc(C(=O)NCCc3ccccc3)c2O1.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is HMVWYYUMCPHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-12-15-8-5-9-16(17(15)21-13)18(20)19-11-10-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 163619458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).