N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide

C14H21N3O3 — CID 106101829

IUPACN'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
SMILESN/C(CC(NCC1(O)CCOC1)c1ccccc1)=N/O
InChIInChI=1S/C14H21N3O3/c15-13(17-19)8-12(11-4-2-1-3-5-11)16-9-14(18)6-7-20-10-14/h1-5,12,16,18-19H,6-10H2,(H2,15,17)
InChIKeyRSSQZNYZMRIEOR-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.61
Rot. Bonds6

About N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide

N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide (PubChem CID 106101829) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
PubChem CID106101829
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
SMILESN/C(CC(NCC1(O)CCOC1)c1ccccc1)=N/O
InChIInChI=1S/C14H21N3O3/c15-13(17-19)8-12(11-4-2-1-3-5-11)16-9-14(18)6-7-20-10-14/h1-5,12,16,18-19H,6-10H2,(H2,15,17)
InChIKeyRSSQZNYZMRIEOR-UHFFFAOYSA-N
XLogP0.61
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.61
H-Bond Donors ≤ 54
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'}

Analyze N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101849
4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
CID 97342031
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831
N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
CID 77031802
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide
CID 77027819
2-benzyl-1-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 130164267
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide (CID 106101829) is N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide is N/C(CC(NCC1(O)CCOC1)c1ccccc1)=N/O.
What is the InChIKey of N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide?
The InChIKey is RSSQZNYZMRIEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-13(17-19)8-12(11-4-2-1-3-5-11)16-9-14(18)6-7-20-10-14/h1-5,12,16,18-19H,6-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide?
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide has a molecular weight of 279.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide is sourced from PubChem (CID 106101829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).