2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide

C24H26N4O3 — CID 72691908

IUPAC2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(ON=C(N)c1cccnc1Oc1ccccc1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C24H26N4O3/c1-16(2)19-12-7-8-14-21(19)27-23(29)17(3)31-28-22(25)20-13-9-15-26-24(20)30-18-10-5-4-6-11-18/h4-17H,1-3H3,(H2,25,28)(H,27,29)
InChIKeyBXEORKLLAVJDTK-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.66
Rot. Bonds8

About 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide

2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 72691908) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
PubChem CID72691908
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(ON=C(N)c1cccnc1Oc1ccccc1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C24H26N4O3/c1-16(2)19-12-7-8-14-21(19)27-23(29)17(3)31-28-22(25)20-13-9-15-26-24(20)30-18-10-5-4-6-11-18/h4-17H,1-3H3,(H2,25,28)(H,27,29)
InChIKeyBXEORKLLAVJDTK-UHFFFAOYSA-N
XLogP4.66
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
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-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
CID 55435620
2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide
CID 60591154
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
CID 9451869
2-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 22170733
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
CID 60591153
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-phenoxypyridine-3-carboxylate
CID 30925663
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide (CID 72691908) is 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide is CC(ON=C(N)c1cccnc1Oc1ccccc1)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is BXEORKLLAVJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16(2)19-12-7-8-14-21(19)27-23(29)17(3)31-28-22(25)20-13-9-15-26-24(20)30-18-10-5-4-6-11-18/h4-17H,1-3H3,(H2,25,28)(H,27,29).
What are the key properties of 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide?
2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 418.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 72691908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).