N'-hydroxy-3-(4-phenoxyanilino)propanimidamide

C15H17N3O2 — CID 77026681

IUPACN'-hydroxy-3-(4-phenoxyanilino)propanimidamide
SMILESNC(CCNc1ccc(Oc2ccccc2)cc1)=NO
InChIInChI=1S/C15H17N3O2/c16-15(18-19)10-11-17-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,17,19H,10-11H2,(H2,16,18)
InChIKeyQLVQOMMBIKLACP-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.03
Rot. Bonds6

About N'-hydroxy-3-(4-phenoxyanilino)propanimidamide

N'-hydroxy-3-(4-phenoxyanilino)propanimidamide (PubChem CID 77026681) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-hydroxy-3-(4-phenoxyanilino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-phenoxyanilino)propanimidamide
PubChem CID77026681
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-hydroxy-3-(4-phenoxyanilino)propanimidamide
SMILESNC(CCNc1ccc(Oc2ccccc2)cc1)=NO
InChIInChI=1S/C15H17N3O2/c16-15(18-19)10-11-17-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,17,19H,10-11H2,(H2,16,18)
InChIKeyQLVQOMMBIKLACP-UHFFFAOYSA-N
XLogP3.03
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N-(3-methylbut-3-enyl)-4-phenoxyaniline
CID 114471890
3-[4-(diethylamino)anilino]-N'-hydroxypropanimidamide
CID 77031082
N-butyl-4-phenoxyaniline
CID 4712110
2-(4-phenoxyanilino)ethanesulfonamide
CID 114384719
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
3-(4-phenoxyanilino)-1-thiophen-2-ylpropan-1-one
CID 4110944
N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512
N-hexyl-4-phenoxyaniline
CID 28876890
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54805518

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-phenoxyanilino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4-phenoxyanilino)propanimidamide (CID 77026681) is N'-hydroxy-3-(4-phenoxyanilino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-phenoxyanilino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-phenoxyanilino)propanimidamide is NC(CCNc1ccc(Oc2ccccc2)cc1)=NO.
What is the InChIKey of N'-hydroxy-3-(4-phenoxyanilino)propanimidamide?
The InChIKey is QLVQOMMBIKLACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15(18-19)10-11-17-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,17,19H,10-11H2,(H2,16,18).
What are the key properties of N'-hydroxy-3-(4-phenoxyanilino)propanimidamide?
N'-hydroxy-3-(4-phenoxyanilino)propanimidamide has a molecular weight of 271.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-phenoxyanilino)propanimidamide is sourced from PubChem (CID 77026681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).