N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide

C23H22N2O4 — CID 99818668

IUPACN'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide
SMILESCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc(O)c3)cc2)c1
InChIInChI=1S/C23H22N2O4/c1-15-5-3-8-21(13-15)29-20-11-9-18(10-12-20)25-23(28)22(27)24-16(2)17-6-4-7-19(26)14-17/h3-14,16,26H,1-2H3,(H,24,27)(H,25,28)/t16-/m1/s1
InChIKeyWXLDAKHXIZPCLX-MRXNPFEDSA-N
MW390.44 g/mol
LogP4.31
Rot. Bonds5

About N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide

N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide (PubChem CID 99818668) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide
PubChem CID99818668
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide
SMILESCc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc(O)c3)cc2)c1
InChIInChI=1S/C23H22N2O4/c1-15-5-3-8-21(13-15)29-20-11-9-18(10-12-20)25-23(28)22(27)24-16(2)17-6-4-7-19(26)14-17/h3-14,16,26H,1-2H3,(H,24,27)(H,25,28)/t16-/m1/s1
InChIKeyWXLDAKHXIZPCLX-MRXNPFEDSA-N
XLogP4.31
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
CID 108510015
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
N-[4-(3-methylphenoxy)phenyl]-N'-(5-methyl-1H-pyrazol-4-yl)oxamide
CID 167920541
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
[4-(3-methylphenoxy)phenyl]hydrazine
CID 69023705
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
4-methyl-N-[4-(3-methylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 4139874
(2S)-2-amino-N'-[4-(3-methylphenoxy)phenyl]pentanediamide
CID 24901626

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide?
The IUPAC name of N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide (CID 99818668) is N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide.
What is the SMILES notation for N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide?
The canonical SMILES for N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide is Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H](C)c3cccc(O)c3)cc2)c1.
What is the InChIKey of N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide?
The InChIKey is WXLDAKHXIZPCLX-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-5-3-8-21(13-15)29-20-11-9-18(10-12-20)25-23(28)22(27)24-16(2)17-6-4-7-19(26)14-17/h3-14,16,26H,1-2H3,(H,24,27)(H,25,28)/t16-/m1/s1.
What are the key properties of N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide?
N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide has a molecular weight of 390.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(3-hydroxyphenyl)ethyl]-N-[4-(3-methylphenoxy)phenyl]oxamide is sourced from PubChem (CID 99818668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).