[1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

C20H24FNO4 — CID 42920806

IUPAC[1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
SMILESCC(OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC(C)(C)C
InChIInChI=1S/C20H24FNO4/c1-13(19(24)22-20(2,3)4)25-18(23)12-10-14-9-11-17(26-14)15-7-5-6-8-16(15)21/h5-9,11,13H,10,12H2,1-4H3,(H,22,24)
InChIKeyDCBCMRVMYQOANR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.86
Rot. Bonds6

About [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate

[1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (PubChem CID 42920806) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
PubChem CID42920806
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name[1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
SMILESCC(OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC(C)(C)C
InChIInChI=1S/C20H24FNO4/c1-13(19(24)22-20(2,3)4)25-18(23)12-10-14-9-11-17(26-14)15-7-5-6-8-16(15)21/h5-9,11,13H,10,12H2,1-4H3,(H,22,24)
InChIKeyDCBCMRVMYQOANR-UHFFFAOYSA-N
XLogP3.86
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate (CID 42920806) is [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate.
What is the SMILES notation for [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The canonical SMILES for [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is CC(OC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC(C)(C)C.
What is the InChIKey of [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
The InChIKey is DCBCMRVMYQOANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-13(19(24)22-20(2,3)4)25-18(23)12-10-14-9-11-17(26-14)15-7-5-6-8-16(15)21/h5-9,11,13H,10,12H2,1-4H3,(H,22,24).
What are the key properties of [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate?
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate has a molecular weight of 361.41 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate is sourced from PubChem (CID 42920806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).