[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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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride
CID 119607048
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120827866
1-[5-(2-fluorophenyl)furan-2-yl]propan-2-ol
CID 63085835
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 18279977
3-[5-(2-fluorophenyl)furan-2-yl]-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 18282783
[2-(2-acetylanilino)-2-oxoethyl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 27058522
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid
CID 119202954

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).