butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate

C22H26N2O5 — CID 7984519

IUPACbutyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O5/c1-4-5-14-28-22(27)17-8-12-19(13-9-17)29-15-20(25)23-18-10-6-16(7-11-18)21(26)24(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeySLNHLYAHGOSLGH-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.36
Rot. Bonds9

About butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate

butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate (PubChem CID 7984519) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namebutyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
PubChem CID7984519
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Namebutyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
SMILESCCCCOC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O5/c1-4-5-14-28-22(27)17-8-12-19(13-9-17)29-15-20(25)23-18-10-6-16(7-11-18)21(26)24(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeySLNHLYAHGOSLGH-UHFFFAOYSA-N
XLogP3.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[2-[4-(dimethylamino)anilino]-2-oxoethoxy]benzoate
CID 7762125
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
butyl 4-[[2-[2-(dimethylcarbamoyl)-6-methoxyphenoxy]acetyl]amino]benzoate
CID 55865373
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
pentyl 4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19169104
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194340
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455

Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The IUPAC name of butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate (CID 7984519) is butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate.
What is the SMILES notation for butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The canonical SMILES for butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate is CCCCOC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
The InChIKey is SLNHLYAHGOSLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-5-14-28-22(27)17-8-12-19(13-9-17)29-15-20(25)23-18-10-6-16(7-11-18)21(26)24(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,23,25).
What are the key properties of butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate?
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate has a molecular weight of 398.46 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 7984519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).