N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide

C21H26N2O5 — CID 90498386

IUPACN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)C(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C21H26N2O5/c1-14-5-10-18(28-4)17(11-14)23-20(25)19(24)22-13-21(2,26)12-15-6-8-16(27-3)9-7-15/h5-11,26H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyALXUWAMTRKVIRJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.06
Rot. Bonds7

About N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide

N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 90498386) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID90498386
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(CC(C)(O)CNC(=O)C(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C21H26N2O5/c1-14-5-10-18(28-4)17(11-14)23-20(25)19(24)22-13-21(2,26)12-15-6-8-16(27-3)9-7-15/h5-11,26H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyALXUWAMTRKVIRJ-UHFFFAOYSA-N
XLogP2.06
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 95984505
N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 90498368
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108513847
N'-(2-amino-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 108508266
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide (CID 90498386) is N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(CC(C)(O)CNC(=O)C(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is ALXUWAMTRKVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14-5-10-18(28-4)17(11-14)23-20(25)19(24)22-13-21(2,26)12-15-6-8-16(27-3)9-7-15/h5-11,26H,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide?
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 386.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 90498386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).