2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide

C22H30N2O4 — CID 9122763

IUPAC2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c(OC)cc1/C=N\NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O4/c1-26-18-8-20(28-3)19(27-2)7-17(18)13-23-24-21(25)12-22-9-14-4-15(10-22)6-16(5-14)11-22/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,24,25)/b23-13-
InChIKeyFNXOMXUQKGBXFN-QRVIBDJDSA-N
MW386.49 g/mol
LogP3.77
Rot. Bonds7

About 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 9122763) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID9122763
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(OC)c(OC)cc1/C=N\NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O4/c1-26-18-8-20(28-3)19(27-2)7-17(18)13-23-24-21(25)12-22-9-14-4-15(10-22)6-16(5-14)11-22/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,24,25)/b23-13-
InChIKeyFNXOMXUQKGBXFN-QRVIBDJDSA-N
XLogP3.77
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9122728
N,N'-bis[(2,4,5-trimethoxyphenyl)methylideneamino]octanediamide
CID 3495405
5-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6061722
2-(1-adamantyl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135816260
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135816259
2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 3309267
2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
CID 9122743
2-(1-adamantyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6006199
2-(1-adamantyl)-N-[(E)-[3-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]acetamide
CID 135678655
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2959876
2-(2-phenylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9315527

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 9122763) is 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(OC)c(OC)cc1/C=N\NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is FNXOMXUQKGBXFN-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-26-18-8-20(28-3)19(27-2)7-17(18)13-23-24-21(25)12-22-9-14-4-15(10-22)6-16(5-14)11-22/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,24,25)/b23-13-.
What are the key properties of 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 386.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 9122763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).