N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide

C17H21NO4 — CID 59164852

IUPACN-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide
SMILESCC(=O)N(O)CC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21
InChIInChI=1S/C17H21NO4/c1-9-7-12-14(13(9)8-18(22)11(3)19)10(2)17(5-6-17)16(4,21)15(12)20/h7,21-22H,5-6,8H2,1-4H3/t16-/m0/s1
InChIKeyQUUDUXWAGZHFIE-INIZCTEOSA-N
MW303.36 g/mol
LogP1.91
Rot. Bonds2

About N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide

N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide (PubChem CID 59164852) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide
PubChem CID59164852
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC NameN-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide
SMILESCC(=O)N(O)CC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21
InChIInChI=1S/C17H21NO4/c1-9-7-12-14(13(9)8-18(22)11(3)19)10(2)17(5-6-17)16(4,21)15(12)20/h7,21-22H,5-6,8H2,1-4H3/t16-/m0/s1
InChIKeyQUUDUXWAGZHFIE-INIZCTEOSA-N
XLogP1.91
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[cyclopropanecarbonyl-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]amino] acetate
CID 88892365
2-amino-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]-N-methoxypropanamide
CID 118440031
(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]
CID 45487198
[(5'R)-1'-(acetyloxymethyl)-5'-hydroxy-5',7'-dimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-2'-yl]methyl acetate
CID 15463319
4-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]butanenitrile
CID 146658252
[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propylideneamino] acetate
CID 146658212
2-hydroxyethyl 2-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methylsulfanyl]acetate
CID 71129565
2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione
CID 118440000
2-[[(5'R)-2'-ethyl-5'-hydroxy-5',7'-dimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methoxy]ethyl acetate
CID 146658190
(5'R)-5'-hydroxy-2',5',7'-trimethyl-1'-[3-(4-methylphenyl)sulfanyloxypropyl]spiro[cyclopropane-1,6'-indene]-4'-one
CID 121458939
(2'S,5'R)-5'-hydroxy-2'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-1',4'-dione
CID 10220879
3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl (4-nitrophenyl) carbonate
CID 46179705

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide?
The IUPAC name of N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide (CID 59164852) is N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide?
The canonical SMILES for N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide is CC(=O)N(O)CC1=C(C)C=C2C(=O)[C@](C)(O)C3(CC3)C(C)=C21.
What is the InChIKey of N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide?
The InChIKey is QUUDUXWAGZHFIE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO4/c1-9-7-12-14(13(9)8-18(22)11(3)19)10(2)17(5-6-17)16(4,21)15(12)20/h7,21-22H,5-6,8H2,1-4H3/t16-/m0/s1.
What are the key properties of N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide?
N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]acetamide is sourced from PubChem (CID 59164852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).