N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide

C17H21N3O — CID 77044102

IUPACN'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
SMILESCc1cccc(CNCC(C(N)=NO)c2ccccc2)c1
InChIInChI=1S/C17H21N3O/c1-13-6-5-7-14(10-13)11-19-12-16(17(18)20-21)15-8-3-2-4-9-15/h2-10,16,19,21H,11-12H2,1H3,(H2,18,20)
InChIKeyKQDBSAAEMZMGKZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.61
Rot. Bonds6

About N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide

N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide (PubChem CID 77044102) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
PubChem CID77044102
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
SMILESCc1cccc(CNCC(C(N)=NO)c2ccccc2)c1
InChIInChI=1S/C17H21N3O/c1-13-6-5-7-14(10-13)11-19-12-16(17(18)20-21)15-8-3-2-4-9-15/h2-10,16,19,21H,11-12H2,1H3,(H2,18,20)
InChIKeyKQDBSAAEMZMGKZ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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-[(4-bromophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043527
N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide
CID 77043764
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide
CID 77043610
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
3-(2-bromo-4-methylanilino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043936
N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
CID 77043906
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide (CID 77044102) is N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide is Cc1cccc(CNCC(C(N)=NO)c2ccccc2)c1.
What is the InChIKey of N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide?
The InChIKey is KQDBSAAEMZMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-6-5-7-14(10-13)11-19-12-16(17(18)20-21)15-8-3-2-4-9-15/h2-10,16,19,21H,11-12H2,1H3,(H2,18,20).
What are the key properties of N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide has a molecular weight of 283.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide is sourced from PubChem (CID 77044102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).