N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide

C18H22N2O4 — CID 71719499

IUPACN-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO
InChIInChI=1S/C18H22N2O4/c21-16(19-22)10-17-6-12-5-13(7-17)9-18(8-12,11-17)14-1-3-15(4-2-14)20(23)24/h1-4,12-13,22H,5-11H2,(H,19,21)
InChIKeyIXLWJPCOAMGLEB-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.33
Rot. Bonds4

About N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide

N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide (PubChem CID 71719499) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide
PubChem CID71719499
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide
SMILESO=C(CC12CC3CC(C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO
InChIInChI=1S/C18H22N2O4/c21-16(19-22)10-17-6-12-5-13(7-17)9-18(8-12,11-17)14-1-3-15(4-2-14)20(23)24/h1-4,12-13,22H,5-11H2,(H,19,21)
InChIKeyIXLWJPCOAMGLEB-UHFFFAOYSA-N
XLogP3.33
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide?
The IUPAC name of N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide (CID 71719499) is N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide?
The canonical SMILES for N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide is O=C(CC12CC3CC(C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO.
What is the InChIKey of N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide?
The InChIKey is IXLWJPCOAMGLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(19-22)10-17-6-12-5-13(7-17)9-18(8-12,11-17)14-1-3-15(4-2-14)20(23)24/h1-4,12-13,22H,5-11H2,(H,19,21).
What are the key properties of N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide?
N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(4-nitrophenyl)-1-adamantyl]acetamide is sourced from PubChem (CID 71719499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).