[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

C22H24N2O5 — CID 7815364

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C22H24N2O5/c1-14-7-10-19(15(2)11-14)28-13-21(26)29-12-20(25)24-18-6-4-3-5-17(18)22(27)23-16-8-9-16/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyBACQRXDDYNZLIV-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.76
Rot. Bonds8

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (PubChem CID 7815364) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
PubChem CID7815364
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C22H24N2O5/c1-14-7-10-19(15(2)11-14)28-13-21(26)29-12-20(25)24-18-6-4-3-5-17(18)22(27)23-16-8-9-16/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyBACQRXDDYNZLIV-UHFFFAOYSA-N
XLogP2.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527057
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 30393806
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878545
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7587081

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate (CID 7815364) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c(C)c1.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
The InChIKey is BACQRXDDYNZLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-14-7-10-19(15(2)11-14)28-13-21(26)29-12-20(25)24-18-6-4-3-5-17(18)22(27)23-16-8-9-16/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate has a molecular weight of 396.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate is sourced from PubChem (CID 7815364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).