N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide

C15H23N3O3 — CID 77125155

IUPACN'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCNCC2CCCC2O)cc1
InChIInChI=1S/C15H23N3O3/c16-15(18-20)11-4-6-13(7-5-11)21-9-8-17-10-12-2-1-3-14(12)19/h4-7,12,14,17,19-20H,1-3,8-10H2,(H2,16,18)
InChIKeyPCWQHMLOPYGZRY-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.91
Rot. Bonds7

About N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide (PubChem CID 77125155) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
PubChem CID77125155
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
SMILESNC(=NO)c1ccc(OCCNCC2CCCC2O)cc1
InChIInChI=1S/C15H23N3O3/c16-15(18-20)11-4-6-13(7-5-11)21-9-8-17-10-12-2-1-3-14(12)19/h4-7,12,14,17,19-20H,1-3,8-10H2,(H2,16,18)
InChIKeyPCWQHMLOPYGZRY-UHFFFAOYSA-N
XLogP0.91
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[2-(thiolan-3-ylmethylamino)ethoxy]benzenecarboximidamide
CID 107296444
N'-hydroxy-4-[2-[(1-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide
CID 77056371
N'-hydroxy-4-[2-(3-hydroxypropylamino)ethoxy]benzenecarboximidamide
CID 77029004
4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025986
4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025374
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 81389569
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
4-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]butanamide
CID 77027995
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 104967571

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide (CID 77125155) is N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide is NC(=NO)c1ccc(OCCNCC2CCCC2O)cc1.
What is the InChIKey of N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide?
The InChIKey is PCWQHMLOPYGZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-15(18-20)11-4-6-13(7-5-11)21-9-8-17-10-12-2-1-3-14(12)19/h4-7,12,14,17,19-20H,1-3,8-10H2,(H2,16,18).
What are the key properties of N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide has a molecular weight of 293.37 g/mol, XLogP of 0.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-[(2-hydroxycyclopentyl)methylamino]ethoxy]benzenecarboximidamide is sourced from PubChem (CID 77125155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).