2-(2-benzylanilino)-N'-hydroxybutanimidamide

C17H21N3O — CID 77025350

IUPAC2-(2-benzylanilino)-N'-hydroxybutanimidamide
SMILESCCC(Nc1ccccc1Cc1ccccc1)C(N)=NO
InChIInChI=1S/C17H21N3O/c1-2-15(17(18)20-21)19-16-11-7-6-10-14(16)12-13-8-4-3-5-9-13/h3-11,15,19,21H,2,12H2,1H3,(H2,18,20)
InChIKeyCXMPDWHZJVUWQC-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.21
Rot. Bonds6

About 2-(2-benzylanilino)-N'-hydroxybutanimidamide

2-(2-benzylanilino)-N'-hydroxybutanimidamide (PubChem CID 77025350) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(2-benzylanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2-benzylanilino)-N'-hydroxybutanimidamide
PubChem CID77025350
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(2-benzylanilino)-N'-hydroxybutanimidamide
SMILESCCC(Nc1ccccc1Cc1ccccc1)C(N)=NO
InChIInChI=1S/C17H21N3O/c1-2-15(17(18)20-21)19-16-11-7-6-10-14(16)12-13-8-4-3-5-9-13/h3-11,15,19,21H,2,12H2,1H3,(H2,18,20)
InChIKeyCXMPDWHZJVUWQC-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

2-benzyl-N-pentan-3-ylaniline
CID 29272087
2-benzyl-N-propan-2-ylaniline
CID 13262632
2-(3-ethylanilino)-N'-hydroxybutanimidamide
CID 77027287
N'-hydroxy-2-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanimidamide
CID 77027448
N'-hydroxy-2-(2,3,5-trifluoroanilino)butanimidamide
CID 77029269
2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
CID 143127936
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
1-(1-amino-1-hydroxyiminobutan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61314622
1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
CID 62254062
1-(2-benzylanilino)propan-2-ol
CID 60884761
(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
CID 112736608
N-(2-benzylphenyl)hydroxylamine
CID 3014197

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2-benzylanilino)-N'-hydroxybutanimidamide (CID 77025350) is 2-(2-benzylanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2-benzylanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2-benzylanilino)-N'-hydroxybutanimidamide is CCC(Nc1ccccc1Cc1ccccc1)C(N)=NO.
What is the InChIKey of 2-(2-benzylanilino)-N'-hydroxybutanimidamide?
The InChIKey is CXMPDWHZJVUWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-15(17(18)20-21)19-16-11-7-6-10-14(16)12-13-8-4-3-5-9-13/h3-11,15,19,21H,2,12H2,1H3,(H2,18,20).
What are the key properties of 2-(2-benzylanilino)-N'-hydroxybutanimidamide?
2-(2-benzylanilino)-N'-hydroxybutanimidamide has a molecular weight of 283.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77025350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).