N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide

C18H21N3O2 — CID 163304121

IUPACN-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide
SMILESCCc1ccc(NC(C)=O)cc1Nc1ccccc1NC(C)=O
InChIInChI=1S/C18H21N3O2/c1-4-14-9-10-15(19-12(2)22)11-18(14)21-17-8-6-5-7-16(17)20-13(3)23/h5-11,21H,4H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyVEAQETPLMDKSBH-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.91
Rot. Bonds5

About N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide

N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide (PubChem CID 163304121) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide
PubChem CID163304121
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide
SMILESCCc1ccc(NC(C)=O)cc1Nc1ccccc1NC(C)=O
InChIInChI=1S/C18H21N3O2/c1-4-14-9-10-15(19-12(2)22)11-18(14)21-17-8-6-5-7-16(17)20-13(3)23/h5-11,21H,4H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyVEAQETPLMDKSBH-UHFFFAOYSA-N
XLogP3.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
N-[3-[(2-ethylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678469
N-(4-ethyl-3-sulfanylphenyl)acetamide
CID 130011196
N-[2-(4-benzoylanilino)phenyl]acetamide
CID 18358189
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
N-(5-acetamido-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 110475529
N-(5-acetamido-2-ethylphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796605
N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968225
N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127909
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide?
The IUPAC name of N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide (CID 163304121) is N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide.
What is the SMILES notation for N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide?
The canonical SMILES for N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide is CCc1ccc(NC(C)=O)cc1Nc1ccccc1NC(C)=O.
What is the InChIKey of N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide?
The InChIKey is VEAQETPLMDKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-14-9-10-15(19-12(2)22)11-18(14)21-17-8-6-5-7-16(17)20-13(3)23/h5-11,21H,4H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide?
N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide is sourced from PubChem (CID 163304121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).