N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide

C22H28N2O3 — CID 22165806

IUPACN-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide
SMILESCCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N(CC)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-6-24(17-11-9-8-10-12-17)21(26)20(25)23-18-15-16(22(3,4)5)13-14-19(18)27-7-2/h8-15H,6-7H2,1-5H3,(H,23,25)
InChIKeyFRMGGJVUGOGJHL-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.37
Rot. Bonds5

About N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide

N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide (PubChem CID 22165806) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide
PubChem CID22165806
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide
SMILESCCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N(CC)c1ccccc1
InChIInChI=1S/C22H28N2O3/c1-6-24(17-11-9-8-10-12-17)21(26)20(25)23-18-15-16(22(3,4)5)13-14-19(18)27-7-2/h8-15H,6-7H2,1-5H3,(H,23,25)
InChIKeyFRMGGJVUGOGJHL-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
CID 108518687
3-[3-(2-bromo-4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882037
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine
CID 67533640
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide?
The IUPAC name of N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide (CID 22165806) is N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide.
What is the SMILES notation for N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide?
The canonical SMILES for N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide is CCOc1ccc(C(C)(C)C)cc1NC(=O)C(=O)N(CC)c1ccccc1.
What is the InChIKey of N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide?
The InChIKey is FRMGGJVUGOGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-24(17-11-9-8-10-12-17)21(26)20(25)23-18-15-16(22(3,4)5)13-14-19(18)27-7-2/h8-15H,6-7H2,1-5H3,(H,23,25).
What are the key properties of N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide?
N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide has a molecular weight of 368.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide is sourced from PubChem (CID 22165806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).