[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate

C24H21NO5 — CID 7239796

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2ccc(COc3ccccc3)cc2)c1
InChIInChI=1S/C24H21NO5/c1-17(26)20-6-5-7-21(14-20)25-23(27)16-30-24(28)19-12-10-18(11-13-19)15-29-22-8-3-2-4-9-22/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyVMWNAJPBZABSAG-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.26
Rot. Bonds8

About [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate

[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate (PubChem CID 7239796) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
PubChem CID7239796
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2ccc(COc3ccccc3)cc2)c1
InChIInChI=1S/C24H21NO5/c1-17(26)20-6-5-7-21(14-20)25-23(27)16-30-24(28)19-12-10-18(11-13-19)15-29-22-8-3-2-4-9-22/h2-14H,15-16H2,1H3,(H,25,27)
InChIKeyVMWNAJPBZABSAG-UHFFFAOYSA-N
XLogP4.26
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
[2-(3-acetylanilino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680545
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625220
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(3-acetylanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504471
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240119
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
ethyl 4-[(3-acetylphenoxy)methyl]benzoate
CID 925874
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate (CID 7239796) is [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate is CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(COc3ccccc3)cc2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
The InChIKey is VMWNAJPBZABSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-17(26)20-6-5-7-21(14-20)25-23(27)16-30-24(28)19-12-10-18(11-13-19)15-29-22-8-3-2-4-9-22/h2-14H,15-16H2,1H3,(H,25,27).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate?
[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate has a molecular weight of 403.43 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate is sourced from PubChem (CID 7239796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).