N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide

C14H23N3O3 — CID 77073414

IUPACN'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
SMILESCOc1ccc(OCCN(CC(N)=NO)C(C)C)cc1
InChIInChI=1S/C14H23N3O3/c1-11(2)17(10-14(15)16-18)8-9-20-13-6-4-12(19-3)5-7-13/h4-7,11,18H,8-10H2,1-3H3,(H2,15,16)
InChIKeyQUKJKVHMXDTMKX-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.53
Rot. Bonds8

About N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide

N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide (PubChem CID 77073414) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
PubChem CID77073414
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
SMILESCOc1ccc(OCCN(CC(N)=NO)C(C)C)cc1
InChIInChI=1S/C14H23N3O3/c1-11(2)17(10-14(15)16-18)8-9-20-13-6-4-12(19-3)5-7-13/h4-7,11,18H,8-10H2,1-3H3,(H2,15,16)
InChIKeyQUKJKVHMXDTMKX-UHFFFAOYSA-N
XLogP1.53
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide
CID 77073443
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 82939708
N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide
CID 77044643
N'-hydroxy-2-[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]ethanimidamide
CID 77044628
N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
CID 77069695
N'-hydroxy-2-[(3-methoxyphenyl)methyl-propan-2-ylamino]ethanimidamide
CID 77044695
[bis[2-(4-methoxyphenoxy)ethyl]amino]methanedithiol
CID 58131449
N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
CID 77038150
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895
3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911367
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
CID 103410003
N'-hydroxy-3-[(4-methoxyphenyl)sulfonyl-methylamino]butanimidamide
CID 76987843

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide (CID 77073414) is N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide is COc1ccc(OCCN(CC(N)=NO)C(C)C)cc1.
What is the InChIKey of N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide?
The InChIKey is QUKJKVHMXDTMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(2)17(10-14(15)16-18)8-9-20-13-6-4-12(19-3)5-7-13/h4-7,11,18H,8-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide?
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide has a molecular weight of 281.36 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide is sourced from PubChem (CID 77073414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).