N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide

C22H22N2O3 — CID 87286412

IUPACN'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide
SMILESN/C(CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1)=N\O
InChIInChI=1S/C22H22N2O3/c23-22(24-25)14-11-17-9-12-19(13-10-17)26-16-18-5-4-8-21(15-18)27-20-6-2-1-3-7-20/h1-10,12-13,15,25H,11,14,16H2,(H2,23,24)
InChIKeyMWADCQFPVQTLMF-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.74
Rot. Bonds8

About N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide

N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide (PubChem CID 87286412) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide
PubChem CID87286412
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide
SMILESN/C(CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1)=N\O
InChIInChI=1S/C22H22N2O3/c23-22(24-25)14-11-17-9-12-19(13-10-17)26-16-18-5-4-8-21(15-18)27-20-6-2-1-3-7-20/h1-10,12-13,15,25H,11,14,16H2,(H2,23,24)
InChIKeyMWADCQFPVQTLMF-UHFFFAOYSA-N
XLogP4.74
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
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

2,2-dideuterio-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoic acid
CID 163471018
3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanenitrile
CID 23082906
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
4-amino-4-methylimino-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]butanoic acid
CID 70639123
4-[2-[4-[(3-phenoxyphenyl)methoxy]phenyl]ethyl]-3H-1,2,3,5-oxathiadiazole
CID 90811725
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
CID 163958367
CID 163958367
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide (CID 87286412) is N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide is N/C(CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1)=N\O.
What is the InChIKey of N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide?
The InChIKey is MWADCQFPVQTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c23-22(24-25)14-11-17-9-12-19(13-10-17)26-16-18-5-4-8-21(15-18)27-20-6-2-1-3-7-20/h1-10,12-13,15,25H,11,14,16H2,(H2,23,24).
What are the key properties of N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide?
N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide has a molecular weight of 362.43 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanimidamide is sourced from PubChem (CID 87286412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).