N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C23H28N2O3 — CID 27335472

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C23H28N2O3/c1-4-25(5-2)15-18-9-7-6-8-17(18)14-24-23(26)12-19-16-28-22-13-20(27-3)10-11-21(19)22/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,24,26)
InChIKeyFTMOERDNEQIYSG-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.14
Rot. Bonds9

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 27335472) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID27335472
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)Cc1coc2cc(OC)ccc12
InChIInChI=1S/C23H28N2O3/c1-4-25(5-2)15-18-9-7-6-8-17(18)14-24-23(26)12-19-16-28-22-13-20(27-3)10-11-21(19)22/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,24,26)
InChIKeyFTMOERDNEQIYSG-UHFFFAOYSA-N
XLogP4.14
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 31449553
N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 55747538
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N-[(2,4-dichlorophenyl)methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2707238
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-propylbenzamide
CID 8750798
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 27335472) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is CCN(CC)Cc1ccccc1CNC(=O)Cc1coc2cc(OC)ccc12.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is FTMOERDNEQIYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-25(5-2)15-18-9-7-6-8-17(18)14-24-23(26)12-19-16-28-22-13-20(27-3)10-11-21(19)22/h6-11,13,16H,4-5,12,14-15H2,1-3H3,(H,24,26).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 27335472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).