[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C16H21FN2O4 — CID 2544607

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C16H21FN2O4/c1-11(2)7-8-18-16(22)19-14(20)10-23-15(21)9-12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyQFGZPLYMMCQCST-UHFFFAOYSA-N
MW324.35 g/mol
LogP1.78
Rot. Bonds7

About [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2544607) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2544607
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C16H21FN2O4/c1-11(2)7-8-18-16(22)19-14(20)10-23-15(21)9-12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyQFGZPLYMMCQCST-UHFFFAOYSA-N
XLogP1.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796300
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544539
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149570
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8904897
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8654469
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577808
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691716
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798856

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2544607) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is CC(C)CCNC(=O)NC(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is QFGZPLYMMCQCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-11(2)7-8-18-16(22)19-14(20)10-23-15(21)9-12-5-3-4-6-13(12)17/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,22).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 324.35 g/mol, XLogP of 1.78, 7 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] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2544607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).