N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide

C18H22N2O4 — CID 71524758

IUPACN-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide
SMILESO=C(CC12C[C@H]3C[C@@H](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)/t12-,13+,17?,18?
InChIKeyIXLWJPCOAMGLEB-NLKGSNSHSA-N
MW330.38 g/mol
LogP3.33
Rot. Bonds4

About N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide

N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide (PubChem CID 71524758) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide
PubChem CID71524758
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide
SMILESO=C(CC12C[C@H]3C[C@@H](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)/t12-,13+,17?,18?
InChIKeyIXLWJPCOAMGLEB-NLKGSNSHSA-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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Related Compounds

2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
CID 71524756
(5R,7R)-3-(4-nitrophenyl)adamantan-1-ol
CID 98092473
(5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate
CID 6923756
methyl (5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate
CID 780067
1-bromo-3-(4-nitrophenyl)adamantane
CID 2728842
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
CID 98145472
(5S,7R)-N-(2-cyanoethyl)-3-(4-nitrophenyl)adamantane-1-carboxamide
CID 46201205
methyl (2S)-2-[[(5R,7R)-3-(4-nitrophenyl)adamantane-1-carbonyl]amino]propanoate
CID 98144150
methyl 2-[[3-(4-nitrophenyl)adamantane-1-carbonyl]amino]propanoate
CID 5229640
N-[2-[2-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethoxy]ethoxy]ethyl]-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide
CID 101121739
(5S,7R)-N-naphthalen-1-yl-3-(4-nitrophenyl)adamantane-1-carboxamide
CID 7232433
benzyl (5S,7S)-3-(4-nitrophenyl)adamantane-1-carboxylate
CID 98423421

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide?
The IUPAC name of N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide (CID 71524758) is N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide?
The canonical SMILES for N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide is O=C(CC12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO.
What is the InChIKey of N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide?
The InChIKey is IXLWJPCOAMGLEB-NLKGSNSHSA-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)/t12-,13+,17?,18?.
What are the key properties of N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide?
N-hydroxy-2-[(5R,7S)-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-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide is sourced from PubChem (CID 71524758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).