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

C18H20N2O5 — CID 95977791

IUPACN'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1
InChIInChI=1S/C18H20N2O5/c1-11(15-10-14(25-3)7-8-16(15)21)19-17(22)18(23)20-12-5-4-6-13(9-12)24-2/h4-11,21H,1-3H3,(H,19,22)(H,20,23)/t11-/m0/s1
InChIKeyJWDSMUWBKDYKRC-NSHDSACASA-N
MW344.37 g/mol
LogP2.23
Rot. Bonds5

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

N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide (PubChem CID 95977791) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
PubChem CID95977791
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1
InChIInChI=1S/C18H20N2O5/c1-11(15-10-14(25-3)7-8-16(15)21)19-17(22)18(23)20-12-5-4-6-13(9-12)24-2/h4-11,21H,1-3H3,(H,19,22)(H,20,23)/t11-/m0/s1
InChIKeyJWDSMUWBKDYKRC-NSHDSACASA-N
XLogP2.23
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.23
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'}

Analyze N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-fluoro-2-methylphenyl)-N'-[(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95299337
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide (CID 95977791) is N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1.
What is the InChIKey of N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide?
The InChIKey is JWDSMUWBKDYKRC-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11(15-10-14(25-3)7-8-16(15)21)19-17(22)18(23)20-12-5-4-6-13(9-12)24-2/h4-11,21H,1-3H3,(H,19,22)(H,20,23)/t11-/m0/s1.
What are the key properties of N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide?
N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide has a molecular weight of 344.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 95977791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).