[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate

C22H27N3O5 — CID 7149570

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H27N3O5/c1-16(2)12-13-23-22(28)25-20(26)14-30-21(27)15-29-19-10-8-18(9-11-19)24-17-6-4-3-5-7-17/h3-11,16,24H,12-15H2,1-2H3,(H2,23,25,26,28)
InChIKeyRJZCIQVWEJJAFY-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.22
Rot. Bonds10

About [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate (PubChem CID 7149570) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
PubChem CID7149570
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H27N3O5/c1-16(2)12-13-23-22(28)25-20(26)14-30-21(27)15-29-19-10-8-18(9-11-19)24-17-6-4-3-5-7-17/h3-11,16,24H,12-15H2,1-2H3,(H2,23,25,26,28)
InChIKeyRJZCIQVWEJJAFY-UHFFFAOYSA-N
XLogP3.22
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8904897
[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 2609306
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544607
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate
CID 2609297
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149623
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-anilinophenoxy)acetate
CID 42898592
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149554
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2511839

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate (CID 7149570) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate is CC(C)CCNC(=O)NC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
The InChIKey is RJZCIQVWEJJAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-16(2)12-13-23-22(28)25-20(26)14-30-21(27)15-29-19-10-8-18(9-11-19)24-17-6-4-3-5-7-17/h3-11,16,24H,12-15H2,1-2H3,(H2,23,25,26,28).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate has a molecular weight of 413.47 g/mol, XLogP of 3.22, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 7149570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).