N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide

C19H22N2O4 — CID 95316895

IUPACN-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O
InChIInChI=1S/C19H22N2O4/c1-4-13-7-5-6-8-16(13)21-19(24)18(23)20-12(2)15-11-14(25-3)9-10-17(15)22/h5-12,22H,4H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyGXLVFLMZRUWOEA-LBPRGKRZSA-N
MW342.40 g/mol
LogP2.78
Rot. Bonds5

About N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide

N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide (PubChem CID 95316895) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
PubChem CID95316895
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O
InChIInChI=1S/C19H22N2O4/c1-4-13-7-5-6-8-16(13)21-19(24)18(23)20-12(2)15-11-14(25-3)9-10-17(15)22/h5-12,22H,4H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyGXLVFLMZRUWOEA-LBPRGKRZSA-N
XLogP2.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-fluorophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95572852
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
CID 95977791
N-(4-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95299337
2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
CID 64682615
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N-(3-cyanophenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95572838
N-(3-cyanophenyl)-N'-[1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 56801346
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
N'-(2-ethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108530359
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide (CID 95316895) is N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide is CCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
The InChIKey is GXLVFLMZRUWOEA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-13-7-5-6-8-16(13)21-19(24)18(23)20-12(2)15-11-14(25-3)9-10-17(15)22/h5-12,22H,4H2,1-3H3,(H,20,23)(H,21,24)/t12-/m0/s1.
What are the key properties of N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide?
N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide has a molecular weight of 342.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 95316895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).