N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide

C15H23N3O3 — CID 114797845

IUPACN'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCN2CCC(CCO)C2)cc1
InChIInChI=1S/C15H23N3O3/c16-15(17-20)13-1-3-14(4-2-13)21-10-8-18-7-5-12(11-18)6-9-19/h1-4,12,19-20H,5-11H2,(H2,16,17)
InChIKeyRDAHKETZVGPNBD-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.86
Rot. Bonds7

About N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide (PubChem CID 114797845) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide
PubChem CID114797845
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCN2CCC(CCO)C2)cc1
InChIInChI=1S/C15H23N3O3/c16-15(17-20)13-1-3-14(4-2-13)21-10-8-18-7-5-12(11-18)6-9-19/h1-4,12,19-20H,5-11H2,(H2,16,17)
InChIKeyRDAHKETZVGPNBD-UHFFFAOYSA-N
XLogP0.86
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 115647831
2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
4-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 106669736
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299047
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 104967571
benzyl N-[amino-[4-[3-[1-[3-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]methylidene]carbamate;benzyl N-[amino-[4-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propoxy]phenyl]methylidene]carbamate
CID 172934079
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299833
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide (CID 114797845) is N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide is N/C(=N/O)c1ccc(OCCN2CCC(CCO)C2)cc1.
What is the InChIKey of N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide?
The InChIKey is RDAHKETZVGPNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-15(17-20)13-1-3-14(4-2-13)21-10-8-18-7-5-12(11-18)6-9-19/h1-4,12,19-20H,5-11H2,(H2,16,17).
What are the key properties of N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide has a molecular weight of 293.37 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide is sourced from PubChem (CID 114797845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).