N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide

C22H25NO4 — CID 24947775

IUPACN,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide
SMILESCCN(CC)C(=O)C(C)c1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1
InChIInChI=1S/C22H25NO4/c1-5-23(6-2)22(25)14(3)15-8-10-19-17(11-15)13-20(27-19)16-7-9-18(24)21(12-16)26-4/h7-14,24H,5-6H2,1-4H3
InChIKeyPGWKYHIYXICCGD-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.79
Rot. Bonds6

About N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide

N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide (PubChem CID 24947775) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide
PubChem CID24947775
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC NameN,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide
SMILESCCN(CC)C(=O)C(C)c1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1
InChIInChI=1S/C22H25NO4/c1-5-23(6-2)22(25)14(3)15-8-10-19-17(11-15)13-20(27-19)16-7-9-18(24)21(12-16)26-4/h7-14,24H,5-6H2,1-4H3
InChIKeyPGWKYHIYXICCGD-UHFFFAOYSA-N
XLogP4.79
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
CID 24947773
3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]pentanamide
CID 68871834
2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]-N,N-dipropylacetamide
CID 24947774
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
3-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]-3-ethylpentanamide
CID 68875534
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 86575310
2-[2-(3,4-dimethoxyphenyl)-1-benzofuran-5-yl]ethanol
CID 24946507
2-(4-hydroxy-3-methoxyphenyl)-6-phenylpyran-4-one
CID 10880922
2-(3,5-dimethoxy-4-propan-2-ylphenyl)-5-methylsulfonyl-1-benzofuran
CID 170781889
(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 100694823
2-(3-ethyl-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116845766

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide?
The IUPAC name of N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide (CID 24947775) is N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide.
What is the SMILES notation for N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide?
The canonical SMILES for N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide is CCN(CC)C(=O)C(C)c1ccc2oc(-c3ccc(O)c(OC)c3)cc2c1.
What is the InChIKey of N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide?
The InChIKey is PGWKYHIYXICCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-5-23(6-2)22(25)14(3)15-8-10-19-17(11-15)13-20(27-19)16-7-9-18(24)21(12-16)26-4/h7-14,24H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide?
N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]propanamide is sourced from PubChem (CID 24947775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).