2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide

C25H27N3O2 — CID 2645683

IUPAC2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-4-10-21(11-5-18)26-24(29)16-28(23-14-8-20(3)9-15-23)17-25(30)27-22-12-6-19(2)7-13-22/h4-15H,16-17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyGRQDXNYUENOHEV-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.70
Rot. Bonds7

About 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide

2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide (PubChem CID 2645683) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
PubChem CID2645683
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-4-10-21(11-5-18)26-24(29)16-28(23-14-8-20(3)9-15-23)17-25(30)27-22-12-6-19(2)7-13-22/h4-15H,16-17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyGRQDXNYUENOHEV-UHFFFAOYSA-N
XLogP4.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
2-(N-ethyl-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60517438
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853
2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide
CID 2382881
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide (CID 2645683) is 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide?
The InChIKey is GRQDXNYUENOHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-4-10-21(11-5-18)26-24(29)16-28(23-14-8-20(3)9-15-23)17-25(30)27-22-12-6-19(2)7-13-22/h4-15H,16-17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide?
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2645683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).