[3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate

C20H30FNO5 — CID 18933325

IUPAC[3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(F)cc1)CC(O)COC(=O)C(C)(C)C
InChIInChI=1S/C20H30FNO5/c1-19(2,3)17(24)26-13-16(23)12-22(18(25)27-20(4,5)6)11-14-7-9-15(21)10-8-14/h7-10,16,23H,11-13H2,1-6H3
InChIKeyHUENZJPSHFAYBY-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.51
Rot. Bonds6

About [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate

[3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate (PubChem CID 18933325) has the molecular formula C20H30FNO5 and a molecular weight of 383.46 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate
PubChem CID18933325
Molecular FormulaC20H30FNO5
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name[3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(F)cc1)CC(O)COC(=O)C(C)(C)C
InChIInChI=1S/C20H30FNO5/c1-19(2,3)17(24)26-13-16(23)12-22(18(25)27-20(4,5)6)11-14-7-9-15(21)10-8-14/h7-10,16,23H,11-13H2,1-6H3
InChIKeyHUENZJPSHFAYBY-UHFFFAOYSA-N
XLogP3.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate (CID 18933325) is [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate is CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)CC(O)COC(=O)C(C)(C)C.
What is the InChIKey of [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate?
The InChIKey is HUENZJPSHFAYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO5/c1-19(2,3)17(24)26-13-16(23)12-22(18(25)27-20(4,5)6)11-14-7-9-15(21)10-8-14/h7-10,16,23H,11-13H2,1-6H3.
What are the key properties of [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate?
[3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate has a molecular weight of 383.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 18933325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).