N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide

C18H19N3O3 — CID 26584037

IUPACN-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H19N3O3/c1-12-5-3-6-14(9-12)18(24)19-11-17(23)21-16-8-4-7-15(10-16)20-13(2)22/h3-10H,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyAAETVYRASCCINK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide

N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 26584037) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
PubChem CID26584037
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C18H19N3O3/c1-12-5-3-6-14(9-12)18(24)19-11-17(23)21-16-8-4-7-15(10-16)20-13(2)22/h3-10H,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyAAETVYRASCCINK-UHFFFAOYSA-N
XLogP2.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27259117
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide (CID 26584037) is N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide is CC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is AAETVYRASCCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-5-3-6-14(9-12)18(24)19-11-17(23)21-16-8-4-7-15(10-16)20-13(2)22/h3-10H,11H2,1-2H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide?
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 26584037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).