N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide

C20H21NO3 — CID 913233

IUPACN,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide
SMILESCCN(CC)C(=O)c1c(-c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C20H21NO3/c1-4-21(5-2)20(22)18-16-13-15(23-3)11-12-17(16)24-19(18)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3
InChIKeyOFYDBUHSZGFDPZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.59
Rot. Bonds5

About N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide

N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide (PubChem CID 913233) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide
PubChem CID913233
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide
SMILESCCN(CC)C(=O)c1c(-c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C20H21NO3/c1-4-21(5-2)20(22)18-16-13-15(23-3)11-12-17(16)24-19(18)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3
InChIKeyOFYDBUHSZGFDPZ-UHFFFAOYSA-N
XLogP4.59
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)benzofuran-3-carboxamide
CID 122644519
S24014
CID 9998187
N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide
CID 10059864
Phenicaberan
CID 40122
5-Methoxy-N,N-dimethyl-3-benzofuranethanamine
CID 126589
2-Benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol
CID 657581
Ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
CID 2129850
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 9884406
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219
But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 10925712

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide (CID 913233) is N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide is CCN(CC)C(=O)c1c(-c2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is OFYDBUHSZGFDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-21(5-2)20(22)18-16-13-15(23-3)11-12-17(16)24-19(18)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide?
N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-methoxy-2-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 913233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).