4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide

C22H26N4O3 — CID 24623620

IUPAC4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26N4O3/c1-16-7-6-8-17(2)21(16)24-20(27)15-29-25-19-11-13-26(14-12-19)22(28)23-18-9-4-3-5-10-18/h3-10H,11-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyKGDZDULDEMWTBX-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.94
Rot. Bonds5

About 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide

4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide (PubChem CID 24623620) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
PubChem CID24623620
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H26N4O3/c1-16-7-6-8-17(2)21(16)24-20(27)15-29-25-19-11-13-26(14-12-19)22(28)23-18-9-4-3-5-10-18/h3-10H,11-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyKGDZDULDEMWTBX-UHFFFAOYSA-N
XLogP3.94
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.94
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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Related Compounds

4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18206718
4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623661
4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18209184
4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623627
4-(2-oxo-2-piperidin-1-ylethoxy)imino-N-phenylpiperidine-1-carboxamide
CID 24623645
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide
CID 24623669
4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide
CID 18226822
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-hydroxy-3-methylbenzoate
CID 55443494
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899072
4-[(2-methylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240899

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide (CID 24623620) is 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide is Cc1cccc(C)c1NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The InChIKey is KGDZDULDEMWTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-7-6-8-17(2)21(16)24-20(27)15-29-25-19-11-13-26(14-12-19)22(28)23-18-9-4-3-5-10-18/h3-10H,11-15H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 24623620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).