[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C22H25N3O6 — CID 3386791

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H25N3O6/c1-22(2,3)25-21(29)24-18(26)14-30-19(27)13-23-20(28)15-9-11-17(12-10-15)31-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,23,28)(H2,24,25,26,29)
InChIKeyMJUFNQTYQUSDRU-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.38
Rot. Bonds7

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 3386791) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID3386791
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H25N3O6/c1-22(2,3)25-21(29)24-18(26)14-30-19(27)13-23-20(28)15-9-11-17(12-10-15)31-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,23,28)(H2,24,25,26,29)
InChIKeyMJUFNQTYQUSDRU-UHFFFAOYSA-N
XLogP2.38
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833340
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885017
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7415896
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2565014
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921273
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 3386791) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is MJUFNQTYQUSDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-22(2,3)25-21(29)24-18(26)14-30-19(27)13-23-20(28)15-9-11-17(12-10-15)31-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,23,28)(H2,24,25,26,29).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 427.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 3386791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).