2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C18H19NO2 — CID 44782548

IUPAC2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC(C)c3ccccc3)ccc2O1
InChIInChI=1S/C18H19NO2/c1-12-10-16-11-15(8-9-17(16)21-12)18(20)19-13(2)14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3,(H,19,20)
InChIKeyBTXPPVBODNRCMI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds3

About 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 44782548) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID44782548
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)NC(C)c3ccccc3)ccc2O1
InChIInChI=1S/C18H19NO2/c1-12-10-16-11-15(8-9-17(16)21-12)18(20)19-13(2)14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3,(H,19,20)
InChIKeyBTXPPVBODNRCMI-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
CID 3468963
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 59802754
N-[1-hydroxy-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110224413
(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782557
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
3-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]-N-[(1S)-1-phenylethyl]benzamide
CID 11775167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 44782548) is 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CC1Cc2cc(C(=O)NC(C)c3ccccc3)ccc2O1.
What is the InChIKey of 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is BTXPPVBODNRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-10-16-11-15(8-9-17(16)21-12)18(20)19-13(2)14-6-4-3-5-7-14/h3-9,11-13H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 44782548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).