[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate

C24H23NO4 — CID 7264252

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCc1cccc(C)c1NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-17-7-6-8-18(2)23(17)25-22(26)16-29-24(27)20-11-13-21(14-12-20)28-15-19-9-4-3-5-10-19/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeySZTKXZBSLBFUKL-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.68
Rot. Bonds7

About [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate

[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 7264252) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID7264252
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCc1cccc(C)c1NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-17-7-6-8-18(2)23(17)25-22(26)16-29-24(27)20-11-13-21(14-12-20)28-15-19-9-4-3-5-10-19/h3-14H,15-16H2,1-2H3,(H,25,26)
InChIKeySZTKXZBSLBFUKL-UHFFFAOYSA-N
XLogP4.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
CID 42980224
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986176
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519354
[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239796
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7284277

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate (CID 7264252) is [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate is Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is SZTKXZBSLBFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-17-7-6-8-18(2)23(17)25-22(26)16-29-24(27)20-11-13-21(14-12-20)28-15-19-9-4-3-5-10-19/h3-14H,15-16H2,1-2H3,(H,25,26).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 389.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 7264252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).