N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide

C16H24N2O4 — CID 108506834

IUPACN'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C16H24N2O4/c1-6-21-12-9-8-11(10-13(12)22-7-2)17-14(19)15(20)18-16(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyNZJGINGBGWTRST-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.34
Rot. Bonds5

About N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide

N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide (PubChem CID 108506834) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
PubChem CID108506834
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(C)(C)C)cc1OCC
InChIInChI=1S/C16H24N2O4/c1-6-21-12-9-8-11(10-13(12)22-7-2)17-14(19)15(20)18-16(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyNZJGINGBGWTRST-UHFFFAOYSA-N
XLogP2.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(3,4-diethoxyanilino)acetamide
CID 28576637
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8767414
[4-[[2-(3,4-diethoxyanilino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108519892
N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510959
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
N-(3,4-diethoxyphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 108519873
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-diethoxyphenyl)oxamide
CID 108519957

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide?
The IUPAC name of N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide (CID 108506834) is N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide?
The canonical SMILES for N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NC(C)(C)C)cc1OCC.
What is the InChIKey of N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide?
The InChIKey is NZJGINGBGWTRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-6-21-12-9-8-11(10-13(12)22-7-2)17-14(19)15(20)18-16(3,4)5/h8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide?
N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide has a molecular weight of 308.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide is sourced from PubChem (CID 108506834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).