N-(4-acetylphenyl)-N'-tert-butyloxamide

C14H18N2O3 — CID 108506817

IUPACN-(4-acetylphenyl)-N'-tert-butyloxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H18N2O3/c1-9(17)10-5-7-11(8-6-10)15-12(18)13(19)16-14(2,3)4/h5-8H,1-4H3,(H,15,18)(H,16,19)
InChIKeyJNXQBBUDOWQFCJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.74
Rot. Bonds2

About N-(4-acetylphenyl)-N'-tert-butyloxamide

N-(4-acetylphenyl)-N'-tert-butyloxamide (PubChem CID 108506817) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-tert-butyloxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-tert-butyloxamide
PubChem CID108506817
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(4-acetylphenyl)-N'-tert-butyloxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H18N2O3/c1-9(17)10-5-7-11(8-6-10)15-12(18)13(19)16-14(2,3)4/h5-8H,1-4H3,(H,15,18)(H,16,19)
InChIKeyJNXQBBUDOWQFCJ-UHFFFAOYSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
CID 8766689
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8796493
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide
CID 65269737
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-tert-butyloxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-tert-butyloxamide (CID 108506817) is N-(4-acetylphenyl)-N'-tert-butyloxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-tert-butyloxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-tert-butyloxamide is CC(=O)c1ccc(NC(=O)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-tert-butyloxamide?
The InChIKey is JNXQBBUDOWQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(17)10-5-7-11(8-6-10)15-12(18)13(19)16-14(2,3)4/h5-8H,1-4H3,(H,15,18)(H,16,19).
What are the key properties of N-(4-acetylphenyl)-N'-tert-butyloxamide?
N-(4-acetylphenyl)-N'-tert-butyloxamide has a molecular weight of 262.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-tert-butyloxamide is sourced from PubChem (CID 108506817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).