[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate

C15H20N2O4 — CID 2516996

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(2)8-9-16-15(20)17-13(18)10-21-14(19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyUBRJIKPOEWHXRC-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.72
Rot. Bonds6

About [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate (PubChem CID 2516996) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
PubChem CID2516996
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(2)8-9-16-15(20)17-13(18)10-21-14(19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyUBRJIKPOEWHXRC-UHFFFAOYSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-methoxybenzoate
CID 7986023
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2591432
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691716
[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] benzoate
CID 7515099
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487293
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534586
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544607
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7958034
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149570
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 16501665
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-hydroxybenzoate
CID 7790099

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate (CID 2516996) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate is CC(C)CCNC(=O)NC(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate?
The InChIKey is UBRJIKPOEWHXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(2)8-9-16-15(20)17-13(18)10-21-14(19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,16,17,18,20).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate has a molecular weight of 292.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 2516996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).