2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide

C23H30N4O3 — CID 72692194

IUPAC2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide
SMILESCC(ON=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C23H30N4O3/c1-17(23(28)27(2)20-8-4-3-5-9-20)30-26-22(24)19-10-12-21(13-11-19)29-16-18-7-6-14-25-15-18/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H2,24,26)
InChIKeyKFRZRSRQXSCMLK-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.48
Rot. Bonds8

About 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide

2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide (PubChem CID 72692194) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide
PubChem CID72692194
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide
SMILESCC(ON=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C23H30N4O3/c1-17(23(28)27(2)20-8-4-3-5-9-20)30-26-22(24)19-10-12-21(13-11-19)29-16-18-7-6-14-25-15-18/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H2,24,26)
InChIKeyKFRZRSRQXSCMLK-UHFFFAOYSA-N
XLogP3.48
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463
2-[4-(4-methylphenoxy)phenoxy]-N-pyridin-4-ylacetamide
CID 2318546
2-(4-methylphenoxy)-N-4-pyridinylpropanamide
CID 6472042
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563
4-[[Acetyl[[4-(tetradecyloxy)phenyl]methyl]amino]methyl]-1-methylpyridinium iodide
CID 10348470
5,5-Bis-(4-methoxy-phenyl)-penta-2,4-dienoic acid [2-(pyridin-3-ylmethoxy)-ethyl]-amide
CID 14547300
N-[(2S)-4-(4-{[6-(propan-2-yloxy)pyridin-3-yl]oxy}phenyl)butan-2-yl]acetamide
CID 44554862
N-(4-(4-(5-(cyclopentyloxy)pyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 44608464
N-{3-[4-(5-Benzyloxypyridin-2-yloxy)phenyl]-1-methylpropyl}acetamide
CID 44608622
N-{3-[4-(5-Isopropoxypyridin-2-yloxy)phenyl]-1-methylpropyl}acetamide
CID 44608623
(S)-N-(4-(4-(5-(benzyloxy)pyridin-2-yloxy)phenyl)butan-2-yl)acetamide
CID 49855596

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide?
The IUPAC name of 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide (CID 72692194) is 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide.
What is the SMILES notation for 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide?
The canonical SMILES for 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide is CC(ON=C(N)c1ccc(OCc2cccnc2)cc1)C(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide?
The InChIKey is KFRZRSRQXSCMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17(23(28)27(2)20-8-4-3-5-9-20)30-26-22(24)19-10-12-21(13-11-19)29-16-18-7-6-14-25-15-18/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H2,24,26).
What are the key properties of 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide?
2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide has a molecular weight of 410.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-cyclohexyl-N-methylpropanamide is sourced from PubChem (CID 72692194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).