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

C17H21N3O5 — CID 171479616

IUPACN-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
SMILESCOc1ccc(/C=C2\NC(=O)N(CCCCCC(=O)NO)C2=O)cc1
InChIInChI=1S/C17H21N3O5/c1-25-13-8-6-12(7-9-13)11-14-16(22)20(17(23)18-14)10-4-2-3-5-15(21)19-24/h6-9,11,24H,2-5,10H2,1H3,(H,18,23)(H,19,21)/b14-11-
InChIKeyDPKFVBIGJALWMC-KAMYIIQDSA-N
MW347.37 g/mol
LogP1.65
Rot. Bonds8

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

N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide (PubChem CID 171479616) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
PubChem CID171479616
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
SMILESCOc1ccc(/C=C2\NC(=O)N(CCCCCC(=O)NO)C2=O)cc1
InChIInChI=1S/C17H21N3O5/c1-25-13-8-6-12(7-9-13)11-14-16(22)20(17(23)18-14)10-4-2-3-5-15(21)19-24/h6-9,11,24H,2-5,10H2,1H3,(H,18,23)(H,19,21)/b14-11-
InChIKeyDPKFVBIGJALWMC-KAMYIIQDSA-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

(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 175579171
5-[(4-methoxyphenyl)methylidene]-3-(2-oxopropyl)imidazolidine-2,4-dione
CID 139624764
methyl 2-[4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 126251500
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126229568
3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 154063796
1-butyl-5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 153319176
methyl 2-[(4E)-2,5-dioxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazolidin-1-yl]acetate
CID 6369056
N-(4-methoxyphenyl)-6-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanamide
CID 6203467
N-(4-chlorophenyl)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]propanamide
CID 6229399
(5E)-3-(3-chloropropyl)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050374

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide?
The IUPAC name of N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide (CID 171479616) is N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide is COc1ccc(/C=C2\NC(=O)N(CCCCCC(=O)NO)C2=O)cc1.
What is the InChIKey of N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide?
The InChIKey is DPKFVBIGJALWMC-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-25-13-8-6-12(7-9-13)11-14-16(22)20(17(23)18-14)10-4-2-3-5-15(21)19-24/h6-9,11,24H,2-5,10H2,1H3,(H,18,23)(H,19,21)/b14-11-.
What are the key properties of N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide?
N-hydroxy-6-[(4Z)-4-[(4-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-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide is sourced from PubChem (CID 171479616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).