[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate

C24H24N2O4 — CID 7149521

IUPAC[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCN(C)c1ccc(NC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O4/c1-26(2)21-12-10-20(11-13-21)25-23(27)17-30-24(28)19-8-14-22(15-9-19)29-16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3,(H,25,27)
InChIKeyBJZYKRVNKROVBN-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.13
Rot. Bonds8

About [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 7149521) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID7149521
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCN(C)c1ccc(NC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O4/c1-26(2)21-12-10-20(11-13-21)25-23(27)17-30-24(28)19-8-14-22(15-9-19)29-16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3,(H,25,27)
InChIKeyBJZYKRVNKROVBN-UHFFFAOYSA-N
XLogP4.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628986
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538978
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-bromobenzoate
CID 2103505

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate (CID 7149521) is [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate is CN(C)c1ccc(NC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is BJZYKRVNKROVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-26(2)21-12-10-20(11-13-21)25-23(27)17-30-24(28)19-8-14-22(15-9-19)29-16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3,(H,25,27).
What are the key properties of [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 404.47 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 7149521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).