[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate

C25H24N2O5 — CID 40910833

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H24N2O5/c1-27(2)24(29)19-11-13-21(14-12-19)26-23(28)17-32-25(30)20-9-6-10-22(15-20)31-16-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyBKZWHZDGDZUSCI-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.76
Rot. Bonds8

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate (PubChem CID 40910833) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
PubChem CID40910833
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H24N2O5/c1-27(2)24(29)19-11-13-21(14-12-19)26-23(28)17-32-25(30)20-9-6-10-22(15-20)31-16-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,26,28)
InChIKeyBKZWHZDGDZUSCI-UHFFFAOYSA-N
XLogP3.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196
[2-(3,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240119
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3,5-dimethoxybenzoate
CID 7727286
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-(carbamoylamino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7625803
[2-(3-acetylanilino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239796
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240128
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-phenylmethoxybenzoate
CID 7240038

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate (CID 40910833) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate is CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate?
The InChIKey is BKZWHZDGDZUSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-27(2)24(29)19-11-13-21(14-12-19)26-23(28)17-32-25(30)20-9-6-10-22(15-20)31-16-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,26,28).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate has a molecular weight of 432.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate is sourced from PubChem (CID 40910833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).