N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C23H28N2O3 — CID 8948017

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2oc3ccc(OC)cc3c2C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-25(6-2)15-18-9-7-17(8-10-18)14-24-23(26)22-16(3)20-13-19(27-4)11-12-21(20)28-22/h7-13H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyCBNNQNALKWOGCQ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.52
Rot. Bonds8

About N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8948017) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8948017
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2oc3ccc(OC)cc3c2C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-25(6-2)15-18-9-7-17(8-10-18)14-24-23(26)22-16(3)20-13-19(27-4)11-12-21(20)28-22/h7-13H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyCBNNQNALKWOGCQ-UHFFFAOYSA-N
XLogP4.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8960631
N-[[3-(diethylaminomethyl)phenyl]methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55854007
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 78867735
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-[2-(methanesulfonamido)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 86922051
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025
N-[2-(3-bromo-4-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55897249
5-methoxy-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8969278
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8948017) is N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is CCN(CC)Cc1ccc(CNC(=O)c2oc3ccc(OC)cc3c2C)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CBNNQNALKWOGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-25(6-2)15-18-9-7-17(8-10-18)14-24-23(26)22-16(3)20-13-19(27-4)11-12-21(20)28-22/h7-13H,5-6,14-15H2,1-4H3,(H,24,26).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8948017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).