N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide

C24H24N2O4 — CID 118246904

IUPACN-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(C(=O)c2ccccc2O)C(C(N)=O)c2cccc(C)c2)c1
InChIInChI=1S/C24H24N2O4/c1-16-7-5-9-18(13-16)22(23(25)28)26(15-17-8-6-10-19(14-17)30-2)24(29)20-11-3-4-12-21(20)27/h3-14,22,27H,15H2,1-2H3,(H2,25,28)
InChIKeyLJFFPPNQMPFGGV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.58
Rot. Bonds7

About N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide

N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 118246904) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID118246904
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CN(C(=O)c2ccccc2O)C(C(N)=O)c2cccc(C)c2)c1
InChIInChI=1S/C24H24N2O4/c1-16-7-5-9-18(13-16)22(23(25)28)26(15-17-8-6-10-19(14-17)30-2)24(29)20-11-3-4-12-21(20)27/h3-14,22,27H,15H2,1-2H3,(H2,25,28)
InChIKeyLJFFPPNQMPFGGV-UHFFFAOYSA-N
XLogP3.58
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 118246798
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 118246688
[3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate
CID 118246895
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
N-benzyl-N-butan-2-yl-2-hydroxy-5-methoxybenzamide
CID 112810487
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
N-butyl-2-[(3-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132704874
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
2-[ethyl(methyl)amino]-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111115516

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide (CID 118246904) is N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CN(C(=O)c2ccccc2O)C(C(N)=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is LJFFPPNQMPFGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-7-5-9-18(13-16)22(23(25)28)26(15-17-8-6-10-19(14-17)30-2)24(29)20-11-3-4-12-21(20)27/h3-14,22,27H,15H2,1-2H3,(H2,25,28).
What are the key properties of N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide?
N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 118246904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).