N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C25H20N2O4 — CID 51644617

IUPACN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)N[C@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C25H20N2O4/c28-23(15-27-19-11-5-7-13-21(19)30-16-24(27)29)26-25(17-8-2-1-3-9-17)22-14-18-10-4-6-12-20(18)31-22/h1-14,25H,15-16H2,(H,26,28)/t25-/m1/s1
InChIKeyTWBHVOSGLYLSFF-RUZDIDTESA-N
MW412.44 g/mol
LogP4.06
Rot. Bonds5

About N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 51644617) has the molecular formula C25H20N2O4 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID51644617
Molecular FormulaC25H20N2O4
Molecular Weight412.44 g/mol
Exact Mass412.14
IUPAC NameN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)N[C@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C25H20N2O4/c28-23(15-27-19-11-5-7-13-21(19)30-16-24(27)29)26-25(17-8-2-1-3-9-17)22-14-18-10-4-6-12-20(18)31-22/h1-14,25H,15-16H2,(H,26,28)/t25-/m1/s1
InChIKeyTWBHVOSGLYLSFF-RUZDIDTESA-N
XLogP4.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906379
N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 97014856
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18143465
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
N-[(2S)-6-methylheptan-2-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26362101
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55921311
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
N-[1-benzofuran-2-yl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24556797
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 51727752
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534

Frequently Asked Questions

What is the IUPAC name of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 51644617) is N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccccc21)N[C@H](c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is TWBHVOSGLYLSFF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H20N2O4/c28-23(15-27-19-11-5-7-13-21(19)30-16-24(27)29)26-25(17-8-2-1-3-9-17)22-14-18-10-4-6-12-20(18)31-22/h1-14,25H,15-16H2,(H,26,28)/t25-/m1/s1.
What are the key properties of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 412.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 51644617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).