N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide

C21H26N2O4 — CID 108529800

IUPACN'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)15-5-7-16(8-6-15)23-20(25)19(24)22-13-14-27-18-11-9-17(26-4)10-12-18/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMYNWHNIQPDYUNY-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.13
Rot. Bonds6

About N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide

N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (PubChem CID 108529800) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
PubChem CID108529800
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
SMILESCOc1ccc(OCCNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-21(2,3)15-5-7-16(8-6-15)23-20(25)19(24)22-13-14-27-18-11-9-17(26-4)10-12-18/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMYNWHNIQPDYUNY-UHFFFAOYSA-N
XLogP3.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
CID 108526026
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
N-[2-(4-methoxyphenoxy)ethyl]-N'-prop-2-enyloxamide
CID 108526449
1-[2-(4-tert-butylphenoxy)ethyl]-3-(4-cyanophenyl)urea
CID 112972931
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 94421928
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216461
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
N-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965915
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9329071
N'-(2-ethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108530359

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide (CID 108529800) is N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is COc1ccc(OCCNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
The InChIKey is MYNWHNIQPDYUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2,3)15-5-7-16(8-6-15)23-20(25)19(24)22-13-14-27-18-11-9-17(26-4)10-12-18/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide?
N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide has a molecular weight of 370.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide is sourced from PubChem (CID 108529800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).