4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide

C23H28N4O3 — CID 18206718

IUPAC4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)CON=C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N4O3/c1-17(2)18-8-10-20(11-9-18)24-22(28)16-30-26-21-12-14-27(15-13-21)23(29)25-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUDTXZNPQFNTBRK-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.45
Rot. Bonds6

About 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide

4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide (PubChem CID 18206718) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide
PubChem CID18206718
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)CON=C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N4O3/c1-17(2)18-8-10-20(11-9-18)24-22(28)16-30-26-21-12-14-27(15-13-21)23(29)25-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUDTXZNPQFNTBRK-UHFFFAOYSA-N
XLogP4.45
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide (CID 18206718) is 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide is CC(C)c1ccc(NC(=O)CON=C2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide?
The InChIKey is UDTXZNPQFNTBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(2)18-8-10-20(11-9-18)24-22(28)16-30-26-21-12-14-27(15-13-21)23(29)25-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide?
4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 18206718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).