N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide

C17H21N3O — CID 77043722

IUPACN'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
SMILESCC(NCC(C(N)=NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-13(14-8-4-2-5-9-14)19-12-16(17(18)20-21)15-10-6-3-7-11-15/h2-11,13,16,19,21H,12H2,1H3,(H2,18,20)
InChIKeyQQKQYIRDHKXDMU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.87
Rot. Bonds6

About N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide

N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide (PubChem CID 77043722) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
PubChem CID77043722
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
SMILESCC(NCC(C(N)=NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-13(14-8-4-2-5-9-14)19-12-16(17(18)20-21)15-10-6-3-7-11-15/h2-11,13,16,19,21H,12H2,1H3,(H2,18,20)
InChIKeyQQKQYIRDHKXDMU-UHFFFAOYSA-N
XLogP2.87
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.87
H-Bond Donors ≤ 53
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

3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043954
3,3,3-trifluoro-N'-hydroxy-2-[[[(1S)-1-phenylethyl]amino]methyl]propanimidamide
CID 103369723
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-phenylpropanimidamide
CID 106161790
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
N'-hydroxy-3-(octan-4-ylamino)-2-phenylpropanimidamide
CID 106019387
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
N'-hydroxy-2-[[(1S)-1-phenylethyl]amino]propanimidamide
CID 78992213
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide (CID 77043722) is N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide is CC(NCC(C(N)=NO)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide?
The InChIKey is QQKQYIRDHKXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(14-8-4-2-5-9-14)19-12-16(17(18)20-21)15-10-6-3-7-11-15/h2-11,13,16,19,21H,12H2,1H3,(H2,18,20).
What are the key properties of N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide?
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide has a molecular weight of 283.38 g/mol, XLogP of 2.87, 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-(1-phenylethylamino)propanimidamide is sourced from PubChem (CID 77043722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).