N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide

C21H24N2O3 — CID 113061592

IUPACN-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CCNC(=O)Cc2cccc(C)c2)C(C)=O)c1
InChIInChI=1S/C21H24N2O3/c1-15-6-4-7-18(12-15)13-21(26)22-10-11-23(17(3)25)20-9-5-8-19(14-20)16(2)24/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,26)
InChIKeyZZUCEYKRPIEBNK-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide

N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 113061592) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
PubChem CID113061592
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
SMILESCC(=O)c1cccc(N(CCNC(=O)Cc2cccc(C)c2)C(C)=O)c1
InChIInChI=1S/C21H24N2O3/c1-15-6-4-7-18(12-15)13-21(26)22-10-11-23(17(3)25)20-9-5-8-19(14-20)16(2)24/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,26)
InChIKeyZZUCEYKRPIEBNK-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N,4-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061683
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113070993
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113058905
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113063810
N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
CID 113057406
N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
CID 113061547
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
methyl 2-[acetyl-[2-[[2-(3-methylphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061916
methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061971

Frequently Asked Questions

What is the IUPAC name of N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide (CID 113061592) is N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide is CC(=O)c1cccc(N(CCNC(=O)Cc2cccc(C)c2)C(C)=O)c1.
What is the InChIKey of N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is ZZUCEYKRPIEBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-6-4-7-18(12-15)13-21(26)22-10-11-23(17(3)25)20-9-5-8-19(14-20)16(2)24/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide?
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113061592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).