N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C18H17NO3 — CID 46487608

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H17NO3/c1-21-12-14-6-4-5-13(9-14)11-19-18(20)17-10-15-7-2-3-8-16(15)22-17/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyFIAYAPMNYOAKKL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.51
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide

N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 46487608) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID46487608
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H17NO3/c1-21-12-14-6-4-5-13(9-14)11-19-18(20)17-10-15-7-2-3-8-16(15)22-17/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyFIAYAPMNYOAKKL-UHFFFAOYSA-N
XLogP3.51
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
N-[[3-(methoxymethyl)phenyl]methyl]-2-(methylamino)benzamide
CID 61376120
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
5-amino-2-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61138112
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 46487608) is N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is COCc1cccc(CNC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is FIAYAPMNYOAKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-12-14-6-4-5-13(9-14)11-19-18(20)17-10-15-7-2-3-8-16(15)22-17/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46487608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).