N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide

C20H26N2O2 — CID 7784436

IUPACN-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide
SMILESCC/C(=N\NC(=O)c1cccc(O)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N2O2/c1-2-18(21-22-19(24)16-4-3-5-17(23)9-16)20-10-13-6-14(11-20)8-15(7-13)12-20/h3-5,9,13-15,23H,2,6-8,10-12H2,1H3,(H,22,24)/b21-18+
InChIKeyBNSOIGKUXYEZJH-DYTRJAOYSA-N
MW326.44 g/mol
LogP4.10
Rot. Bonds4

About N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide

N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide (PubChem CID 7784436) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide
PubChem CID7784436
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide
SMILESCC/C(=N\NC(=O)c1cccc(O)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N2O2/c1-2-18(21-22-19(24)16-4-3-5-17(23)9-16)20-10-13-6-14(11-20)8-15(7-13)12-20/h3-5,9,13-15,23H,2,6-8,10-12H2,1H3,(H,22,24)/b21-18+
InChIKeyBNSOIGKUXYEZJH-DYTRJAOYSA-N
XLogP4.10
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide (CID 7784436) is N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide is CC/C(=N\NC(=O)c1cccc(O)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide?
The InChIKey is BNSOIGKUXYEZJH-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-18(21-22-19(24)16-4-3-5-17(23)9-16)20-10-13-6-14(11-20)8-15(7-13)12-20/h3-5,9,13-15,23H,2,6-8,10-12H2,1H3,(H,22,24)/b21-18+.
What are the key properties of N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide?
N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide has a molecular weight of 326.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 7784436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).