N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide

C20H27N3O3 — CID 75136185

IUPACN-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide
SMILESCOc1ccc(C(N)=NOCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27N3O3/c1-25-17-4-2-16(3-5-17)19(21)23-26-12-18(24)22-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3,(H2,21,23)(H,22,24)
InChIKeyJPLPRHRTZMMPOE-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.42
Rot. Bonds6

About N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide

N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide (PubChem CID 75136185) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide
PubChem CID75136185
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide
SMILESCOc1ccc(C(N)=NOCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27N3O3/c1-25-17-4-2-16(3-5-17)19(21)23-26-12-18(24)22-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3,(H2,21,23)(H,22,24)
InChIKeyJPLPRHRTZMMPOE-UHFFFAOYSA-N
XLogP2.42
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.42
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-(1-adamantyl)-2-[[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxyacetamide
CID 75134257
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
CID 76889487
N-(1-adamantyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7707186
N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318028
[2-(1-adamantylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 16521264
N'-(1-adamantyl)-N-[(4-methoxyphenyl)methyl]butanediamide
CID 4028517
[2-(1-adamantylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903727
[2-(1-adamantylamino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133135
(4-methoxyphenyl)methyl N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 2876720
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
[2-(1-adamantylamino)-2-oxoethyl] 4-aminobenzoate
CID 4648812
N-(1-adamantyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663754

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide?
The IUPAC name of N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide (CID 75136185) is N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide?
The canonical SMILES for N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide is COc1ccc(C(N)=NOCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide?
The InChIKey is JPLPRHRTZMMPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-25-17-4-2-16(3-5-17)19(21)23-26-12-18(24)22-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide?
N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide has a molecular weight of 357.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide is sourced from PubChem (CID 75136185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).