N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide

C21H26N2O5 — CID 71782088

IUPACN'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C21H26N2O5/c1-4-28-18-8-6-5-7-17(18)23-20(25)19(24)22-14-21(2,26)13-15-9-11-16(27-3)12-10-15/h5-12,26H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXRESCQFPDYDMLR-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.14
Rot. Bonds8

About N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide

N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide (PubChem CID 71782088) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
PubChem CID71782088
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C21H26N2O5/c1-4-28-18-8-6-5-7-17(18)23-20(25)19(24)22-14-21(2,26)13-15-9-11-16(27-3)12-10-15/h5-12,26H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyXRESCQFPDYDMLR-UHFFFAOYSA-N
XLogP2.14
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide (CID 71782088) is N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide is CCOc1ccccc1NC(=O)C(=O)NCC(C)(O)Cc1ccc(OC)cc1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The InChIKey is XRESCQFPDYDMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-28-18-8-6-5-7-17(18)23-20(25)19(24)22-14-21(2,26)13-15-9-11-16(27-3)12-10-15/h5-12,26H,4,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide?
N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide has a molecular weight of 386.45 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide is sourced from PubChem (CID 71782088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).