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

C21H26N2O4 — CID 90498368

IUPACN'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(C)(O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-4-15-5-9-17(10-6-15)23-20(25)19(24)22-14-21(2,26)13-16-7-11-18(27-3)12-8-16/h5-12,26H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyGQJSDLQXWNYODB-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.31
Rot. Bonds7

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

N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide (PubChem CID 90498368) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
PubChem CID90498368
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(C)(O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-4-15-5-9-17(10-6-15)23-20(25)19(24)22-14-21(2,26)13-16-7-11-18(27-3)12-8-16/h5-12,26H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyGQJSDLQXWNYODB-UHFFFAOYSA-N
XLogP2.31
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 71782092
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 71782080
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 90498386
N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 126852191
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
N'-(5-chloro-2-cyanophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 90498404
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498249
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 95983011
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide (CID 90498368) is N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide is CCc1ccc(NC(=O)C(=O)NCC(C)(O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide?
The InChIKey is GQJSDLQXWNYODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-15-5-9-17(10-6-15)23-20(25)19(24)22-14-21(2,26)13-16-7-11-18(27-3)12-8-16/h5-12,26H,4,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide?
N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide has a molecular weight of 370.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide is sourced from PubChem (CID 90498368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).