5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide

C20H17NO3 — CID 51332390

IUPAC5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCC#Cc3ccccc3)c(C)c2c1
InChIInChI=1S/C20H17NO3/c1-14-17-13-16(23-2)10-11-18(17)24-19(14)20(22)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyCOUOYTACYMHVOL-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.53
Rot. Bonds3

About 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide (PubChem CID 51332390) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
PubChem CID51332390
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCC#Cc3ccccc3)c(C)c2c1
InChIInChI=1S/C20H17NO3/c1-14-17-13-16(23-2)10-11-18(17)24-19(14)20(22)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyCOUOYTACYMHVOL-UHFFFAOYSA-N
XLogP3.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
5-ethoxy-3-methyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide
CID 24616930
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
N-[(1-hydroxycyclobutyl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 111445162
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55338840
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
N-[2-(methanesulfonamido)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 86922051
N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 47017553
[2-oxo-2-(2-phenoxyethylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8522616
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide (CID 51332390) is 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NCC#Cc3ccccc3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide?
The InChIKey is COUOYTACYMHVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-14-17-13-16(23-2)10-11-18(17)24-19(14)20(22)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51332390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).