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

C24H23NO5 — CID 8971634

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

Related Compounds

[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 9061512
[1-(benzylamino)-1-oxopropan-2-yl] 4-(4-bromophenyl)-4-oxobutanoate
CID 55306428
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920628
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881356
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7470534
(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876319
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195612
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507677
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 8013492
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909333
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831714

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).