2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide

C18H24N2O4 — CID 58147382

IUPAC2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide
SMILESCOc1cc(C(=O)NO)cc2c1CN(C(=O)C1CCCCCC1)C2
InChIInChI=1S/C18H24N2O4/c1-24-16-9-13(17(21)19-23)8-14-10-20(11-15(14)16)18(22)12-6-4-2-3-5-7-12/h8-9,12,23H,2-7,10-11H2,1H3,(H,19,21)
InChIKeyWGHKIPWSKFNGRT-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.63
Rot. Bonds3

About 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide

2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide (PubChem CID 58147382) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide
PubChem CID58147382
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide
SMILESCOc1cc(C(=O)NO)cc2c1CN(C(=O)C1CCCCCC1)C2
InChIInChI=1S/C18H24N2O4/c1-24-16-9-13(17(21)19-23)8-14-10-20(11-15(14)16)18(22)12-6-4-2-3-5-7-12/h8-9,12,23H,2-7,10-11H2,1H3,(H,19,21)
InChIKeyWGHKIPWSKFNGRT-UHFFFAOYSA-N
XLogP2.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.63
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 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-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

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
2-(cyclohexanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997148
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 1055982
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
2-(1-acetylpiperidine-4-carbonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147293
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
cyclobutyl-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone
CID 110635847
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712640
10-(cyclohexanecarbonyl)-N-hydroxy-2-oxa-10-azatricyclo[9.1.1.03,8]trideca-3(8),4,6-triene-6-carboxamide
CID 122439211

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide (CID 58147382) is 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide is COc1cc(C(=O)NO)cc2c1CN(C(=O)C1CCCCCC1)C2.
What is the InChIKey of 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is WGHKIPWSKFNGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-24-16-9-13(17(21)19-23)8-14-10-20(11-15(14)16)18(22)12-6-4-2-3-5-7-12/h8-9,12,23H,2-7,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide?
2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptanecarbonyl)-N-hydroxy-7-methoxy-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 58147382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).