2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide

C21H34N4O2 — CID 126817537

IUPAC2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)C1CCCN(C)C1
InChIInChI=1S/C21H34N4O2/c1-14(2)17-9-6-10-18(15(3)4)20(17)23-19(26)13-27-24-21(22)16-8-7-11-25(5)12-16/h6,9-10,14-16H,7-8,11-13H2,1-5H3,(H2,22,24)(H,23,26)
InChIKeyVLKZYRTVJGAPLX-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.50
Rot. Bonds7

About 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 126817537) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID126817537
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)C1CCCN(C)C1
InChIInChI=1S/C21H34N4O2/c1-14(2)17-9-6-10-18(15(3)4)20(17)23-19(26)13-27-24-21(22)16-8-7-11-25(5)12-16/h6,9-10,14-16H,7-8,11-13H2,1-5H3,(H2,22,24)(H,23,26)
InChIKeyVLKZYRTVJGAPLX-UHFFFAOYSA-N
XLogP3.50
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.50
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

N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682066
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 42968314
2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(2-methylphenyl)acetamide
CID 47213166
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580413
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] propanoate
CID 7851212
2-[[amino(cyclopentyl)methylidene]amino]oxy-N-(4-phenylphenyl)acetamide
CID 126799212
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065641
(3S)-1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9306099
3-[1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101339
2-[(E)-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 60523791

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 126817537) is 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CON=C(N)C1CCCN(C)C1.
What is the InChIKey of 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is VLKZYRTVJGAPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-14(2)17-9-6-10-18(15(3)4)20(17)23-19(26)13-27-24-21(22)16-8-7-11-25(5)12-16/h6,9-10,14-16H,7-8,11-13H2,1-5H3,(H2,22,24)(H,23,26).
What are the key properties of 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 374.53 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(1-methylpiperidin-3-yl)methylidene]amino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 126817537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).