N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide

C21H19N3O4 — CID 24888273

IUPACN-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide
SMILESC[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C1NC(=O)NC1=O
InChIInChI=1S/C21H19N3O4/c1-13(25)17(18-20(27)24-21(28)23-18)22-19(26)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17-18,25H,1H3,(H,22,26)(H2,23,24,27,28)/t13-,17+,18?/m1/s1
InChIKeyCZLMSLKUAZJNDP-GTDUKUAFSA-N
MW377.40 g/mol
LogP0.77
Rot. Bonds4

About N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide

N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide (PubChem CID 24888273) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide
PubChem CID24888273
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide
SMILESC[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C1NC(=O)NC1=O
InChIInChI=1S/C21H19N3O4/c1-13(25)17(18-20(27)24-21(28)23-18)22-19(26)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17-18,25H,1H3,(H,22,26)(H2,23,24,27,28)/t13-,17+,18?/m1/s1
InChIKeyCZLMSLKUAZJNDP-GTDUKUAFSA-N
XLogP0.77
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide 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 N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide?
The IUPAC name of N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide (CID 24888273) is N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide.
What is the SMILES notation for N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide?
The canonical SMILES for N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide is C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C1NC(=O)NC1=O.
What is the InChIKey of N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide?
The InChIKey is CZLMSLKUAZJNDP-GTDUKUAFSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13(25)17(18-20(27)24-21(28)23-18)22-19(26)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17-18,25H,1H3,(H,22,26)(H2,23,24,27,28)/t13-,17+,18?/m1/s1.
What are the key properties of N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide?
N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide has a molecular weight of 377.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-(2,5-dioxoimidazolidin-4-yl)-2-hydroxypropyl]-4-(2-phenylethynyl)benzamide is sourced from PubChem (CID 24888273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).