ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

C24H30N2O4 — CID 145171330

IUPACethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESCC.COc1ccc(C(=O)N2CCC3(CCc4ccc(C(=O)NO)cc4C3)C2)cc1
InChIInChI=1S/C22H24N2O4.C2H6/c1-28-19-6-4-16(5-7-19)21(26)24-11-10-22(14-24)9-8-15-2-3-17(20(25)23-27)12-18(15)13-22;1-2/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,25);1-2H3
InChIKeyXNWACNAGQNHSBD-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.86
Rot. Bonds3

About ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide

ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (PubChem CID 145171330) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Nameethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
PubChem CID145171330
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nameethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
SMILESCC.COc1ccc(C(=O)N2CCC3(CCc4ccc(C(=O)NO)cc4C3)C2)cc1
InChIInChI=1S/C22H24N2O4.C2H6/c1-28-19-6-4-16(5-7-19)21(26)24-11-10-22(14-24)9-8-15-2-3-17(20(25)23-27)12-18(15)13-22;1-2/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,25);1-2H3
InChIKeyXNWACNAGQNHSBD-UHFFFAOYSA-N
XLogP3.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.86
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 ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide 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

1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
N-hydroxy-6-(4-methoxybenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 56847164
(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
2-hydroxy-1-[1'-(4-methylbenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-yl]ethanone;methyl 1'-(4-methylbenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate;methyl spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 159920115
N-hydroxy-2'-oxo-1'-propan-2-ylspiro[6,8-dihydro-5H-naphthalene-7,4'-pyrrolidine]-2-carboxamide
CID 122632324
N-hydroxy-1'-methylspiro[1,3-dihydroindene-2,3'-piperidine]-5-carboxamide
CID 138707615
methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619687
N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122634909
N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 87400677
N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 59158679
1-[2-(4-methoxybenzoyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]ethanone
CID 90881725
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 53160326

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide (CID 145171330) is ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is CC.COc1ccc(C(=O)N2CCC3(CCc4ccc(C(=O)NO)cc4C3)C2)cc1.
What is the InChIKey of ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
The InChIKey is XNWACNAGQNHSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4.C2H6/c1-28-19-6-4-16(5-7-19)21(26)24-11-10-22(14-24)9-8-15-2-3-17(20(25)23-27)12-18(15)13-22;1-2/h2-7,12,27H,8-11,13-14H2,1H3,(H,23,25);1-2H3.
What are the key properties of ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide?
ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 145171330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).