N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide

C23H22N2O4 — CID 118246798

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(C(=O)c2cccc(O)c2)C(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C23H22N2O4/c1-29-20-12-5-7-16(13-20)15-25(23(28)18-10-6-11-19(26)14-18)21(22(24)27)17-8-3-2-4-9-17/h2-14,21,26H,15H2,1H3,(H2,24,27)
InChIKeyJOMNPBUMZHOYNF-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.27
Rot. Bonds7

About N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide

N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 118246798) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID118246798
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(C(=O)c2cccc(O)c2)C(C(N)=O)c2ccccc2)c1
InChIInChI=1S/C23H22N2O4/c1-29-20-12-5-7-16(13-20)15-25(23(28)18-10-6-11-19(26)14-18)21(22(24)27)17-8-3-2-4-9-17/h2-14,21,26H,15H2,1H3,(H2,24,27)
InChIKeyJOMNPBUMZHOYNF-UHFFFAOYSA-N
XLogP3.27
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide (CID 118246798) is N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CN(C(=O)c2cccc(O)c2)C(C(N)=O)c2ccccc2)c1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is JOMNPBUMZHOYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-29-20-12-5-7-16(13-20)15-25(23(28)18-10-6-11-19(26)14-18)21(22(24)27)17-8-3-2-4-9-17/h2-14,21,26H,15H2,1H3,(H2,24,27).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide?
N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 118246798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).