N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide

C12H17N3O — CID 77043643

IUPACN'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
SMILESC=CCNCC(C(N)=NO)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-2-8-14-9-11(12(13)15-16)10-6-4-3-5-7-10/h2-7,11,14,16H,1,8-9H2,(H2,13,15)
InChIKeyZLGMAVQAIOHVCE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.29
Rot. Bonds6

About N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide

N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide (PubChem CID 77043643) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
PubChem CID77043643
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
SMILESC=CCNCC(C(N)=NO)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-2-8-14-9-11(12(13)15-16)10-6-4-3-5-7-10/h2-7,11,14,16H,1,8-9H2,(H2,13,15)
InChIKeyZLGMAVQAIOHVCE-UHFFFAOYSA-N
XLogP1.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
3-[(4-bromophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043527
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
N'-hydroxy-2-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide
CID 106429236
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
CID 77044102
N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide
CID 77043764

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide (CID 77043643) is N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide is C=CCNCC(C(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide?
The InChIKey is ZLGMAVQAIOHVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-8-14-9-11(12(13)15-16)10-6-4-3-5-7-10/h2-7,11,14,16H,1,8-9H2,(H2,13,15).
What are the key properties of N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide?
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide has a molecular weight of 219.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide is sourced from PubChem (CID 77043643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).