N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide

C21H23N3O3 — CID 86241355

IUPACN,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide
SMILESCN1C(=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)OCC1(C)C
InChIInChI=1S/C21H23N3O3/c1-21(2)14-27-20(24(21)3)17(18(25)22-15-10-6-4-7-11-15)19(26)23-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyRUYGQMAYHDGCRO-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.22
Rot. Bonds4

About N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide

N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide (PubChem CID 86241355) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide.

Molecular Properties

Compound NameN,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide
PubChem CID86241355
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide
SMILESCN1C(=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)OCC1(C)C
InChIInChI=1S/C21H23N3O3/c1-21(2)14-27-20(24(21)3)17(18(25)22-15-10-6-4-7-11-15)19(26)23-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyRUYGQMAYHDGCRO-UHFFFAOYSA-N
XLogP3.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide 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,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide?
The IUPAC name of N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide (CID 86241355) is N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide.
What is the SMILES notation for N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide?
The canonical SMILES for N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide is CN1C(=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)OCC1(C)C.
What is the InChIKey of N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide?
The InChIKey is RUYGQMAYHDGCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-21(2)14-27-20(24(21)3)17(18(25)22-15-10-6-4-7-11-15)19(26)23-16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide?
N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide has a molecular weight of 365.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenyl-2-(3,4,4-trimethyl-1,3-oxazolidin-2-ylidene)propanediamide is sourced from PubChem (CID 86241355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).