N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide

C14H21N3O2 — CID 82728703

IUPACN'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
SMILESCC1OCCC1NCC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-10-13(7-8-19-10)16-9-12(14(15)17-18)11-5-3-2-4-6-11/h2-6,10,12-13,16,18H,7-9H2,1H3,(H2,15,17)
InChIKeyQCGQQGFSAWCQAS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.28
Rot. Bonds5

About N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide (PubChem CID 82728703) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
PubChem CID82728703
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
SMILESCC1OCCC1NCC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-10-13(7-8-19-10)16-9-12(14(15)17-18)11-5-3-2-4-6-11/h2-6,10,12-13,16,18H,7-9H2,1H3,(H2,15,17)
InChIKeyQCGQQGFSAWCQAS-UHFFFAOYSA-N
XLogP1.28
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
CID 115335546
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide
CID 80719517
N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
CID 80713268
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide
CID 106101879
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
CID 77043943
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
CID 106189648

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide (CID 82728703) is N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide is CC1OCCC1NCC(/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide?
The InChIKey is QCGQQGFSAWCQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-13(7-8-19-10)16-9-12(14(15)17-18)11-5-3-2-4-6-11/h2-6,10,12-13,16,18H,7-9H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide has a molecular weight of 263.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 82728703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).