[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate

C24H22N2O4 — CID 17423024

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O4/c1-17-11-13-19(14-12-17)25-23(28)16-30-24(29)20-9-5-6-10-21(20)26-22(27)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyGRGYWCUTTLQCLB-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.97
Rot. Bonds7

About [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate

[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 17423024) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
PubChem CID17423024
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O4/c1-17-11-13-19(14-12-17)25-23(28)16-30-24(29)20-9-5-6-10-21(20)26-22(27)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyGRGYWCUTTLQCLB-UHFFFAOYSA-N
XLogP3.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 28593747
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30684694
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30475432
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 33268113
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 31187385
2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate
CID 46678719
methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate
CID 112988435
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 46793438

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate (CID 17423024) is [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate is Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is GRGYWCUTTLQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-17-11-13-19(14-12-17)25-23(28)16-30-24(29)20-9-5-6-10-21(20)26-22(27)15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 402.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 17423024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).