Skip to content

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate

C24H23NO5 — CID 8971634

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate
SMILESC[C@@H](OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C24H23NO5/c1-17(24(28)25-16-21-8-5-15-29-21)30-23(27)14-13-22(26)20-11-9-19(10-12-20)18-6-3-2-4-7-18/h2-12,15,17H,13-14,16H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeySBXAXGKJQAFTQB-QGZVFWFLSA-N
MW405.45 g/mol
LogP4.16
Rot. Bonds9

About [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate (PubChem CID 8971634) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate
PubChem CID8971634
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate
SMILESC[C@@H](OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C24H23NO5/c1-17(24(28)25-16-21-8-5-15-29-21)30-23(27)14-13-22(26)20-11-9-19(10-12-20)18-6-3-2-4-7-18/h2-12,15,17H,13-14,16H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeySBXAXGKJQAFTQB-QGZVFWFLSA-N
XLogP4.16
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate (CID 8971634) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate is C[C@@H](OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccco1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate?
The InChIKey is SBXAXGKJQAFTQB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23NO5/c1-17(24(28)25-16-21-8-5-15-29-21)30-23(27)14-13-22(26)20-11-9-19(10-12-20)18-6-3-2-4-7-18/h2-12,15,17H,13-14,16H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate has a molecular weight of 405.45 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate is sourced from PubChem (CID 8971634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.