N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C21H24N2O3 — CID 31449553

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCc3ccc(CN(C)C)cc3)coc2c1
InChIInChI=1S/C21H24N2O3/c1-23(2)13-16-6-4-15(5-7-16)12-22-21(24)10-17-14-26-20-11-18(25-3)8-9-19(17)20/h4-9,11,14H,10,12-13H2,1-3H3,(H,22,24)
InChIKeyWQPGRVYPZHHPKY-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.36
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 31449553) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID31449553
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCc3ccc(CN(C)C)cc3)coc2c1
InChIInChI=1S/C21H24N2O3/c1-23(2)13-16-6-4-15(5-7-16)12-22-21(24)10-17-14-26-20-11-18(25-3)8-9-19(17)20/h4-9,11,14H,10,12-13H2,1-3H3,(H,22,24)
InChIKeyWQPGRVYPZHHPKY-UHFFFAOYSA-N
XLogP3.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.36
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-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 27335472
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]thiourea
CID 24637418
N-[(2,4-dichlorophenyl)methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2707238
N-(1-benzothiophen-3-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 55747538
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546
N-cyclopropyl-2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17430809
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2107129
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415531

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 31449553) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)NCc3ccc(CN(C)C)cc3)coc2c1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is WQPGRVYPZHHPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23(2)13-16-6-4-15(5-7-16)12-22-21(24)10-17-14-26-20-11-18(25-3)8-9-19(17)20/h4-9,11,14H,10,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 31449553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).