(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

C31H32FN3O6 — CID 68620200

IUPAC(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
SMILESC[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C2CC2)cc1F)N1C(=O)NC(c2ccc(OCC(O)CO)cc2)C1=O
InChIInChI=1S/C31H32FN3O6/c1-18(19-5-3-2-4-6-19)28(29(38)33-26-14-11-22(15-25(26)32)20-7-8-20)35-30(39)27(34-31(35)40)21-9-12-24(13-10-21)41-17-23(37)16-36/h2-6,9-15,18,20,23,27-28,36-37H,7-8,16-17H2,1H3,(H,33,38)(H,34,40)/t18-,23?,27?,28-/m0/s1
InChIKeyFRQJOYSEAJBJQJ-UHIQNCMFSA-N
MW561.61 g/mol
LogP3.84
Rot. Bonds11

About (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (PubChem CID 68620200) has the molecular formula C31H32FN3O6 and a molecular weight of 561.61 g/mol. Its IUPAC name is (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

Molecular Properties

Compound Name(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
PubChem CID68620200
Molecular FormulaC31H32FN3O6
Molecular Weight561.61 g/mol
Exact Mass561.23
IUPAC Name(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
SMILESC[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C2CC2)cc1F)N1C(=O)NC(c2ccc(OCC(O)CO)cc2)C1=O
InChIInChI=1S/C31H32FN3O6/c1-18(19-5-3-2-4-6-19)28(29(38)33-26-14-11-22(15-25(26)32)20-7-8-20)35-30(39)27(34-31(35)40)21-9-12-24(13-10-21)41-17-23(37)16-36/h2-6,9-15,18,20,23,27-28,36-37H,7-8,16-17H2,1H3,(H,33,38)(H,34,40)/t18-,23?,27?,28-/m0/s1
InChIKeyFRQJOYSEAJBJQJ-UHIQNCMFSA-N
XLogP3.84
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.61
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide 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 (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?
The IUPAC name of (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (CID 68620200) is (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.
What is the SMILES notation for (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?
The canonical SMILES for (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is C[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccc(C2CC2)cc1F)N1C(=O)NC(c2ccc(OCC(O)CO)cc2)C1=O.
What is the InChIKey of (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?
The InChIKey is FRQJOYSEAJBJQJ-UHIQNCMFSA-N. The full InChI is InChI=1S/C31H32FN3O6/c1-18(19-5-3-2-4-6-19)28(29(38)33-26-14-11-22(15-25(26)32)20-7-8-20)35-30(39)27(34-31(35)40)21-9-12-24(13-10-21)41-17-23(37)16-36/h2-6,9-15,18,20,23,27-28,36-37H,7-8,16-17H2,1H3,(H,33,38)(H,34,40)/t18-,23?,27?,28-/m0/s1.
What are the key properties of (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?
(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide has a molecular weight of 561.61 g/mol, XLogP of 3.84, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is sourced from PubChem (CID 68620200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).