2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide

C17H26N4O2 — CID 136556054

IUPAC2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CON=C(N)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-2-21-10-8-15(9-11-21)19-17(22)13-23-20-16(18)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,18,20)(H,19,22)
InChIKeyKEDHCADXJFAADC-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.12
Rot. Bonds7

About 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide

2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 136556054) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID136556054
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CON=C(N)Cc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-2-21-10-8-15(9-11-21)19-17(22)13-23-20-16(18)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,18,20)(H,19,22)
InChIKeyKEDHCADXJFAADC-UHFFFAOYSA-N
XLogP1.12
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 167988186
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17173850
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide (CID 136556054) is 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CON=C(N)Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is KEDHCADXJFAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-21-10-8-15(9-11-21)19-17(22)13-23-20-16(18)12-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,18,20)(H,19,22).
What are the key properties of 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide?
2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-phenylethylidene)amino]oxy-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 136556054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).