[2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate

C22H24N2O5 — CID 8954370

IUPAC[2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccccc2)c(NC(C)=O)c1
InChIInChI=1S/C22H24N2O5/c1-14(25)23-17-10-11-18(19(12-17)24-15(2)26)20(27)13-29-21(28)22(3,4)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyDPNVDPNPAUUDOR-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.31
Rot. Bonds7

About [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 8954370) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID8954370
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccccc2)c(NC(C)=O)c1
InChIInChI=1S/C22H24N2O5/c1-14(25)23-17-10-11-18(19(12-17)24-15(2)26)20(27)13-29-21(28)22(3,4)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyDPNVDPNPAUUDOR-UHFFFAOYSA-N
XLogP3.31
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-p-Tolylcarbamoyl-butyric acid 1-methyl-2-oxo-2-phenyl-ethyl ester
CID 2901381
[2-[4-(Dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 4795120
[2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717310
[2-(4-Acetamido-2-fluorophenyl)-2-oxoethyl] cyclohexanecarboxylate
CID 8220578
2-(4-Butanamidophenyl)-2-oxoethyl 2-methylcyclopropane-1-carboxylate
CID 16296498
N-(4-acetylphenyl)-4-phenyloxane-4-carboxamide
CID 756636
Ethyl {4-[(4-tert-butylbenzoyl)amino]phenyl}acetate
CID 894520
2-[1,1'-Biphenyl]-4-yl-2-oxoethyl 4-oxo-4-(2-toluidino)butanoate
CID 1731021
[2-(4-Carbamoylanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2096202
2-(4-Biphenylyl)-2-oxoethyl 4-[(4-methylphenyl)amino]-4-oxobutanoate
CID 2265848
2-Anilinobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
CID 2465640
2-(4-Biphenylyl)-2-oxoethyl 4-[(2-ethylphenyl)amino]-4-oxobutanoate
CID 2584349

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 8954370) is [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate is CC(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)c2ccccc2)c(NC(C)=O)c1.
What is the InChIKey of [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is DPNVDPNPAUUDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-14(25)23-17-10-11-18(19(12-17)24-15(2)26)20(27)13-29-21(28)22(3,4)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 396.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-diacetamidophenyl)-2-oxoethyl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 8954370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).