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

C19H22ClNO4 — CID 24603772

IUPACpropan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1ccco1)c1ccccc1Cl
InChIInChI=1S/C19H22ClNO4/c1-13(2)25-19(23)12-17(15-7-3-4-8-16(15)20)21-18(22)10-9-14-6-5-11-24-14/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyNKCMOJXZUKGUJL-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.06
Rot. Bonds8

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

propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate (PubChem CID 24603772) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
PubChem CID24603772
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Namepropan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1ccco1)c1ccccc1Cl
InChIInChI=1S/C19H22ClNO4/c1-13(2)25-19(23)12-17(15-7-3-4-8-16(15)20)21-18(22)10-9-14-6-5-11-24-14/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyNKCMOJXZUKGUJL-UHFFFAOYSA-N
XLogP4.06
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate?
The IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate (CID 24603772) is propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate?
The canonical SMILES for propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate is CC(C)OC(=O)CC(NC(=O)CCc1ccco1)c1ccccc1Cl.
What is the InChIKey of propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate?
The InChIKey is NKCMOJXZUKGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-13(2)25-19(23)12-17(15-7-3-4-8-16(15)20)21-18(22)10-9-14-6-5-11-24-14/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate?
propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate has a molecular weight of 363.84 g/mol, XLogP of 4.06, 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-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate is sourced from PubChem (CID 24603772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).