propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate

C19H22FNO4 — CID 18266763

IUPACpropan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H22FNO4/c1-13(2)24-19(23)11-12-21-18(22)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-7,9,13H,8,10-12H2,1-2H3,(H,21,22)
InChIKeyFTVKDUZNIHTFKF-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.48
Rot. Bonds8

About propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate

propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate (PubChem CID 18266763) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate
PubChem CID18266763
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Namepropan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H22FNO4/c1-13(2)24-19(23)11-12-21-18(22)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-7,9,13H,8,10-12H2,1-2H3,(H,21,22)
InChIKeyFTVKDUZNIHTFKF-UHFFFAOYSA-N
XLogP3.48
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-butylcarbamate
CID 46916518
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 665041
N,N-diethyl-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 2946691
3-(2-furanyl)-N-[3-(2-furanyl)-4-methylpentyl]-4-phenylbutanamide
CID 3275785
N-cyclohexyl-3-(furan-2-yl)-4-phenylbutanamide
CID 3532483
N-[3-(furan-2-yl)-3-phenylpropyl]-2,2-dimethyloxane-4-carboxamide
CID 2947017
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 665239
Furan-2-carboxylic acid (2-fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl ester
CID 3220313
3-(furan-2-yl)-3-phenyl-N,N-dipropylpropanamide
CID 3847276
[2-[4-(2-Acetamidoethyl)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 9460448

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate?
The IUPAC name of propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate (CID 18266763) is propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate?
The canonical SMILES for propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate is CC(C)OC(=O)CCNC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate?
The InChIKey is FTVKDUZNIHTFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-13(2)24-19(23)11-12-21-18(22)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-7,9,13H,8,10-12H2,1-2H3,(H,21,22).
What are the key properties of propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate?
propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate has a molecular weight of 347.39 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]propanoate is sourced from PubChem (CID 18266763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).