2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide

C18H34N4O2 — CID 126817139

IUPAC2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CON=C(N)CN1C(C)CCCC1C
InChIInChI=1S/C18H34N4O2/c1-13-7-4-5-10-16(13)20-18(23)12-24-21-17(19)11-22-14(2)8-6-9-15(22)3/h13-16H,4-12H2,1-3H3,(H2,19,21)(H,20,23)
InChIKeyDBKVBVWKMFISSP-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.23
Rot. Bonds6

About 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide

2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide (PubChem CID 126817139) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide
PubChem CID126817139
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CON=C(N)CN1C(C)CCCC1C
InChIInChI=1S/C18H34N4O2/c1-13-7-4-5-10-16(13)20-18(23)12-24-21-17(19)11-22-14(2)8-6-9-15(22)3/h13-16H,4-12H2,1-3H3,(H2,19,21)(H,20,23)
InChIKeyDBKVBVWKMFISSP-UHFFFAOYSA-N
XLogP2.23
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.23
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-4-methylpentylidene)amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 47446463
2-[(E)-(1-amino-2,2-diphenylethylidene)amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9372400
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 52534597
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 52534598
2-bromo-N-(2-methylcyclopentyl)acetamide
CID 63681266
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 40605579
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 124725559
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
2-(cyclopropylmethylamino)-N-(2-methylcyclopentyl)acetamide
CID 63281463
3-(2-amino-2-oxoethyl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 30827845
(2-methylcyclopentyl)urea
CID 63281869

Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide (CID 126817139) is 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CON=C(N)CN1C(C)CCCC1C.
What is the InChIKey of 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide?
The InChIKey is DBKVBVWKMFISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-13-7-4-5-10-16(13)20-18(23)12-24-21-17(19)11-22-14(2)8-6-9-15(22)3/h13-16H,4-12H2,1-3H3,(H2,19,21)(H,20,23).
What are the key properties of 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide?
2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide has a molecular weight of 338.50 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 126817139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).