N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide

C18H17N3O4 — CID 95572838

IUPACN-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C18H17N3O4/c1-11(15-9-14(25-2)6-7-16(15)22)20-17(23)18(24)21-13-5-3-4-12(8-13)10-19/h3-9,11,22H,1-2H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeyMWSOIQCRIVBYIP-LLVKDONJSA-N
MW339.35 g/mol
LogP2.09
Rot. Bonds4

About N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide

N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide (PubChem CID 95572838) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
PubChem CID95572838
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C18H17N3O4/c1-11(15-9-14(25-2)6-7-16(15)22)20-17(23)18(24)21-13-5-3-4-12(8-13)10-19/h3-9,11,22H,1-2H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeyMWSOIQCRIVBYIP-LLVKDONJSA-N
XLogP2.09
TPSA111.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-N'-[1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 56801346
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
CID 95977791
N-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95572852
N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95316895
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95299337
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide (CID 95572838) is N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide is COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The InChIKey is MWSOIQCRIVBYIP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(15-9-14(25-2)6-7-16(15)22)20-17(23)18(24)21-13-5-3-4-12(8-13)10-19/h3-9,11,22H,1-2H3,(H,20,23)(H,21,24)/t11-/m1/s1.
What are the key properties of N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide has a molecular weight of 339.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 95572838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).