N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide

C17H21N3O5 — CID 175579171

IUPACN-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
SMILESCOc1ccccc1/C=C1\NC(=O)N(CCCCCC(=O)NO)C1=O
InChIInChI=1S/C17H21N3O5/c1-25-14-8-5-4-7-12(14)11-13-16(22)20(17(23)18-13)10-6-2-3-9-15(21)19-24/h4-5,7-8,11,24H,2-3,6,9-10H2,1H3,(H,18,23)(H,19,21)/b13-11-
InChIKeyJORYDNKKHWEMBL-QBFSEMIESA-N
MW347.37 g/mol
LogP1.65
Rot. Bonds8

About N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide

N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide (PubChem CID 175579171) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
PubChem CID175579171
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
SMILESCOc1ccccc1/C=C1\NC(=O)N(CCCCCC(=O)NO)C1=O
InChIInChI=1S/C17H21N3O5/c1-25-14-8-5-4-7-12(14)11-13-16(22)20(17(23)18-13)10-6-2-3-9-15(21)19-24/h4-5,7-8,11,24H,2-3,6,9-10H2,1H3,(H,18,23)(H,19,21)/b13-11-
InChIKeyJORYDNKKHWEMBL-QBFSEMIESA-N
XLogP1.65
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 171479616
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632809
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
methyl 2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490219
methyl 6-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
CID 19195991
N-(4-fluorophenyl)-6-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 16630796
5-[(2-bromophenyl)methylidene]-3-butylimidazolidine-2,4-dione
CID 54398318
2-[6-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]acetic acid
CID 16631060
5-[(2-methoxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 4076405
N-benzyl-6-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 16631241
methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 78414890

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide?
The IUPAC name of N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide (CID 175579171) is N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide is COc1ccccc1/C=C1\NC(=O)N(CCCCCC(=O)NO)C1=O.
What is the InChIKey of N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide?
The InChIKey is JORYDNKKHWEMBL-QBFSEMIESA-N. The full InChI is InChI=1S/C17H21N3O5/c1-25-14-8-5-4-7-12(14)11-13-16(22)20(17(23)18-13)10-6-2-3-9-15(21)19-24/h4-5,7-8,11,24H,2-3,6,9-10H2,1H3,(H,18,23)(H,19,21)/b13-11-.
What are the key properties of N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide?
N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide has a molecular weight of 347.37 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide is sourced from PubChem (CID 175579171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).