N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide

C17H20N4O4 — CID 5480201

IUPACN'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(OCCCOc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C17H20N4O4/c18-16(20-22)12-2-6-14(7-3-12)24-10-1-11-25-15-8-4-13(5-9-15)17(19)21-23/h2-9,22-23H,1,10-11H2,(H2,18,20)(H2,19,21)
InChIKeyJZZQSMIQUPQSCL-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.72
Rot. Bonds8

About N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide

N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide (PubChem CID 5480201) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
PubChem CID5480201
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(OCCCOc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C17H20N4O4/c18-16(20-22)12-2-6-14(7-3-12)24-10-1-11-25-15-8-4-13(5-9-15)17(19)21-23/h2-9,22-23H,1,10-11H2,(H2,18,20)(H2,19,21)
InChIKeyJZZQSMIQUPQSCL-UHFFFAOYSA-N
XLogP1.72
TPSA135.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide
CID 114280249
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
N'-hydroxy-4-[2-(3-hydroxypropylamino)ethoxy]benzenecarboximidamide
CID 77029004
N'-hydroxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847256
4-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]butanamide
CID 77027995

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide (CID 5480201) is N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide is N/C(=N\O)c1ccc(OCCCOc2ccc(/C(N)=N/O)cc2)cc1.
What is the InChIKey of N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide?
The InChIKey is JZZQSMIQUPQSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c18-16(20-22)12-2-6-14(7-3-12)24-10-1-11-25-15-8-4-13(5-9-15)17(19)21-23/h2-9,22-23H,1,10-11H2,(H2,18,20)(H2,19,21).
What are the key properties of N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide?
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide has a molecular weight of 344.37 g/mol, XLogP of 1.72, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide is sourced from PubChem (CID 5480201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).