N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide

C23H21NO4 — CID 42345096

IUPACN-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1occc1C)O2
InChIInChI=1S/C23H21NO4/c1-14-9-10-27-22(14)23(26)24-13-18-12-17-11-16(7-8-21(17)28-18)20-6-4-3-5-19(20)15(2)25/h3-11,18H,12-13H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyXHPFXTUVQUIATQ-SFHVURJKSA-N
MW375.42 g/mol
LogP4.19
Rot. Bonds5

About N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide

N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 42345096) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
PubChem CID42345096
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1occc1C)O2
InChIInChI=1S/C23H21NO4/c1-14-9-10-27-22(14)23(26)24-13-18-12-17-11-16(7-8-21(17)28-18)20-6-4-3-5-19(20)15(2)25/h3-11,18H,12-13H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyXHPFXTUVQUIATQ-SFHVURJKSA-N
XLogP4.19
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-fluorobenzamide
CID 42406034
N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylpropanamide
CID 26343807
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 26319322
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-2-carboxamide
CID 126465751
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide
CID 26278177
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-phenylprop-2-ynamide
CID 42417778
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylsulfanylpropanamide
CID 45204492
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 45174089
(2S)-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42169368
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylpentanamide
CID 45172673
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 42357736
1-[2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]phenyl]ethanone
CID 118759914

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide (CID 42345096) is N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide is CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1occc1C)O2.
What is the InChIKey of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is XHPFXTUVQUIATQ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H21NO4/c1-14-9-10-27-22(14)23(26)24-13-18-12-17-11-16(7-8-21(17)28-18)20-6-4-3-5-19(20)15(2)25/h3-11,18H,12-13H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide?
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 42345096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).