N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide

C14H23N3O3 — CID 106311040

IUPACN'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNCCCOCCO)c1ccccc1
InChIInChI=1S/C14H23N3O3/c15-14(17-19)13(12-5-2-1-3-6-12)11-16-7-4-9-20-10-8-18/h1-3,5-6,13,16,18-19H,4,7-11H2,(H2,15,17)
InChIKeyIITHNNLZNQQZLT-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.51
Rot. Bonds10

About N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide

N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide (PubChem CID 106311040) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide
PubChem CID106311040
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CNCCCOCCO)c1ccccc1
InChIInChI=1S/C14H23N3O3/c15-14(17-19)13(12-5-2-1-3-6-12)11-16-7-4-9-20-10-8-18/h1-3,5-6,13,16,18-19H,4,7-11H2,(H2,15,17)
InChIKeyIITHNNLZNQQZLT-UHFFFAOYSA-N
XLogP0.51
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.51
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

3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid
CID 106305496
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide
CID 77043951
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-2-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide
CID 106429236
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
2-[3-(3-phenylbutylamino)propoxy]ethanol
CID 107095408
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide (CID 106311040) is N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide is N/C(=N/O)C(CNCCCOCCO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide?
The InChIKey is IITHNNLZNQQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c15-14(17-19)13(12-5-2-1-3-6-12)11-16-7-4-9-20-10-8-18/h1-3,5-6,13,16,18-19H,4,7-11H2,(H2,15,17).
What are the key properties of N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide?
N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide has a molecular weight of 281.36 g/mol, XLogP of 0.51, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide is sourced from PubChem (CID 106311040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).