2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide

C20H23NO2 — CID 18097983

IUPAC2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(CNC(=O)c1cccc2c1OC(C)C2C)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-13(16-8-5-4-6-9-16)12-21-20(22)18-11-7-10-17-14(2)15(3)23-19(17)18/h4-11,13-15H,12H2,1-3H3,(H,21,22)
InChIKeyDOMLXMQRDABRQK-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.10
Rot. Bonds4

About 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide

2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 18097983) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID18097983
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(CNC(=O)c1cccc2c1OC(C)C2C)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-13(16-8-5-4-6-9-16)12-21-20(22)18-11-7-10-17-14(2)15(3)23-19(17)18/h4-11,13-15H,12H2,1-3H3,(H,21,22)
InChIKeyDOMLXMQRDABRQK-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxypentyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 107300275
N-(3-hydroxy-4-methoxybutyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 103877084
(2S,3S)-N-[(1S)-1-cyclopropylethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 51672674
N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 115691489
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 114751443
methyl (2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905951
N-[1-(hydroxymethyl)cyclopentyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 62517882
2-(ethylamino)-N-(2-phenylpropyl)benzamide
CID 63107799
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2,3-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 24535734
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18143854
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide (CID 18097983) is 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide is CC(CNC(=O)c1cccc2c1OC(C)C2C)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is DOMLXMQRDABRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13(16-8-5-4-6-9-16)12-21-20(22)18-11-7-10-17-14(2)15(3)23-19(17)18/h4-11,13-15H,12H2,1-3H3,(H,21,22).
What are the key properties of 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-phenylpropyl)-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 18097983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).