[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate

C23H28N2O5 — CID 8806398

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)COc2cc(C(C)C)ccc2C)c1
InChIInChI=1S/C23H28N2O5/c1-5-24-23(28)18-7-6-8-19(11-18)25-21(26)13-30-22(27)14-29-20-12-17(15(2)3)10-9-16(20)4/h6-12,15H,5,13-14H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyGCWQNMZUFVZVAN-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.43
Rot. Bonds9

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate (PubChem CID 8806398) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
PubChem CID8806398
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)COc2cc(C(C)C)ccc2C)c1
InChIInChI=1S/C23H28N2O5/c1-5-24-23(28)18-7-6-8-19(11-18)25-21(26)13-30-22(27)14-29-20-12-17(15(2)3)10-9-16(20)4/h6-12,15H,5,13-14H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyGCWQNMZUFVZVAN-UHFFFAOYSA-N
XLogP3.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate with MolForge

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335752
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230877
methyl 3-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethoxy]-4-methylbenzoate
CID 55561380
3-[[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 26051759
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847291
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetate
CID 9348165
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 9229993
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 8806393
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229077
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
ethyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7128264
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate (CID 8806398) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate is CCNC(=O)c1cccc(NC(=O)COC(=O)COc2cc(C(C)C)ccc2C)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?
The InChIKey is GCWQNMZUFVZVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-5-24-23(28)18-7-6-8-19(11-18)25-21(26)13-30-22(27)14-29-20-12-17(15(2)3)10-9-16(20)4/h6-12,15H,5,13-14H2,1-4H3,(H,24,28)(H,25,26).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate has a molecular weight of 412.49 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methyl-5-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8806398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).