[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate

C24H22N2O5 — CID 2498662

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-26(2)23(28)17-12-14-18(15-13-17)25-22(27)16-30-24(29)20-10-6-7-11-21(20)31-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyYBDVSVDLQOSVBO-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.98
Rot. Bonds7

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2498662) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2498662
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-26(2)23(28)17-12-14-18(15-13-17)25-22(27)16-30-24(29)20-10-6-7-11-21(20)31-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyYBDVSVDLQOSVBO-UHFFFAOYSA-N
XLogP3.98
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
CID 7760857
methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7764243
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658714
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-nitrobenzoate
CID 2619648
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2454502
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586962
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-phenylmethoxybenzoate
CID 40910833
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648672
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2673777

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate (CID 2498662) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate is CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is YBDVSVDLQOSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-26(2)23(28)17-12-14-18(15-13-17)25-22(27)16-30-24(29)20-10-6-7-11-21(20)31-19-8-4-3-5-9-19/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 418.45 g/mol, XLogP of 3.98, 7 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] 2-phenoxybenzoate is sourced from PubChem (CID 2498662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).