N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide

C17H17NO3 — CID 94291772

IUPACN-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCCOc1ccccc1NC(=O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17NO3/c1-3-21-15-7-5-4-6-14(15)18-17(20)16(19)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyGCQIDOAYMSSFNB-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.22
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide

N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 94291772) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID94291772
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCCOc1ccccc1NC(=O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H17NO3/c1-3-21-15-7-5-4-6-14(15)18-17(20)16(19)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyGCQIDOAYMSSFNB-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.22
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

N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 6456700
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
(E)-2,3-dichloro-4-(2-ethoxyanilino)-4-oxobut-2-enoic acid
CID 852528
(2R)-N-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 42583664
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108531107
N-(2-ethoxyphenyl)-N',N'-dipropyloxamide
CID 108528706

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide (CID 94291772) is N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide is CCOc1ccccc1NC(=O)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is GCQIDOAYMSSFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-21-15-7-5-4-6-14(15)18-17(20)16(19)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 283.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 94291772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).