N'-hydroxy-3-phenyl-3-propoxypropanimidamide

C12H18N2O2 — CID 115001465

IUPACN'-hydroxy-3-phenyl-3-propoxypropanimidamide
SMILESCCCOC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-2-8-16-11(9-12(13)14-15)10-6-4-3-5-7-10/h3-7,11,15H,2,8-9H2,1H3,(H2,13,14)
InChIKeyJUNYKIWXCSNPDQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.29
Rot. Bonds6

About N'-hydroxy-3-phenyl-3-propoxypropanimidamide

N'-hydroxy-3-phenyl-3-propoxypropanimidamide (PubChem CID 115001465) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-hydroxy-3-phenyl-3-propoxypropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-phenyl-3-propoxypropanimidamide
PubChem CID115001465
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN'-hydroxy-3-phenyl-3-propoxypropanimidamide
SMILESCCCOC(CC(N)=NO)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-2-8-16-11(9-12(13)14-15)10-6-4-3-5-7-10/h3-7,11,15H,2,8-9H2,1H3,(H2,13,14)
InChIKeyJUNYKIWXCSNPDQ-UHFFFAOYSA-N
XLogP2.29
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethoxy-1-propoxyethyl)benzene
CID 54522303
3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949093
N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
CID 106019347
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
butyl 3-ethoxy-3-phenylpropanoate
CID 174751774
N'-hydroxy-3-phenoxypentanimidamide
CID 43368248
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
1-pentoxypropylbenzene
CID 57033372
3-butoxy-3-phenylpropan-1-amine
CID 114998461

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-phenyl-3-propoxypropanimidamide?
The IUPAC name of N'-hydroxy-3-phenyl-3-propoxypropanimidamide (CID 115001465) is N'-hydroxy-3-phenyl-3-propoxypropanimidamide.
What is the SMILES notation for N'-hydroxy-3-phenyl-3-propoxypropanimidamide?
The canonical SMILES for N'-hydroxy-3-phenyl-3-propoxypropanimidamide is CCCOC(CC(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-phenyl-3-propoxypropanimidamide?
The InChIKey is JUNYKIWXCSNPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-8-16-11(9-12(13)14-15)10-6-4-3-5-7-10/h3-7,11,15H,2,8-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-phenyl-3-propoxypropanimidamide?
N'-hydroxy-3-phenyl-3-propoxypropanimidamide has a molecular weight of 222.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-phenyl-3-propoxypropanimidamide is sourced from PubChem (CID 115001465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).