2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide

C19H24N2O3 — CID 135816259

IUPAC2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C19H24N2O3/c22-16-2-1-12(6-17(16)23)11-20-21-18(24)10-19-7-13-3-14(8-19)5-15(4-13)9-19/h1-2,6,11,13-15,22-23H,3-5,7-10H2,(H,21,24)/b20-11+
InChIKeyYMMAVOYFLBZGNH-RGVLZGJSSA-N
MW328.41 g/mol
LogP3.15
Rot. Bonds4

About 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide

2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 135816259) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID135816259
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C19H24N2O3/c22-16-2-1-12(6-17(16)23)11-20-21-18(24)10-19-7-13-3-14(8-19)5-15(4-13)9-19/h1-2,6,11,13-15,22-23H,3-5,7-10H2,(H,21,24)/b20-11+
InChIKeyYMMAVOYFLBZGNH-RGVLZGJSSA-N
XLogP3.15
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135816260
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 137045313
2-(1-adamantyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6006199
2-(1-adamantyl)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9122728
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 135435759
2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 3309267
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-hydroxybutanamide
CID 5021089
2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9122763
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 805233
2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
CID 9122743

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide (CID 135816259) is 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is YMMAVOYFLBZGNH-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-16-2-1-12(6-17(16)23)11-20-21-18(24)10-19-7-13-3-14(8-19)5-15(4-13)9-19/h1-2,6,11,13-15,22-23H,3-5,7-10H2,(H,21,24)/b20-11+.
What are the key properties of 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135816259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).