2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C20H24N4O3 — CID 17431317

IUPAC2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H24N4O3/c1-14-7-9-16(10-8-14)22-19(26)12-24(3)13-20(27)23-18-6-4-5-17(11-18)21-15(2)25/h4-11H,12-13H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyGZDLYSJJFAORTI-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.46
Rot. Bonds7

About 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 17431317) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID17431317
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C20H24N4O3/c1-14-7-9-16(10-8-14)22-19(26)12-24(3)13-20(27)23-18-6-4-5-17(11-18)21-15(2)25/h4-11H,12-13H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyGZDLYSJJFAORTI-UHFFFAOYSA-N
XLogP2.46
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729092
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678459
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 86979182
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 51087127
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 17431317) is 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is CC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is GZDLYSJJFAORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-7-9-16(10-8-14)22-19(26)12-24(3)13-20(27)23-18-6-4-5-17(11-18)21-15(2)25/h4-11H,12-13H2,1-3H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 17431317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).