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

C14H23N3O3 — CID 77073443

IUPACN'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide
SMILESCCCN(CCOc1ccc(OC)cc1)CC(N)=NO
InChIInChI=1S/C14H23N3O3/c1-3-8-17(11-14(15)16-18)9-10-20-13-6-4-12(19-2)5-7-13/h4-7,18H,3,8-11H2,1-2H3,(H2,15,16)
InChIKeySGIRWMRSTIRDHZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.53
Rot. Bonds9

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

N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide (PubChem CID 77073443) 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-propylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide
PubChem CID77073443
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide
SMILESCCCN(CCOc1ccc(OC)cc1)CC(N)=NO
InChIInChI=1S/C14H23N3O3/c1-3-8-17(11-14(15)16-18)9-10-20-13-6-4-12(19-2)5-7-13/h4-7,18H,3,8-11H2,1-2H3,(H2,15,16)
InChIKeySGIRWMRSTIRDHZ-UHFFFAOYSA-N
XLogP1.53
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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-propan-2-ylamino]ethanimidamide
CID 77073414
N'-hydroxy-2-[2-methoxyethyl(propyl)amino]ethanimidamide
CID 76927566
N'-hydroxy-2-[2-propan-2-yloxyethyl(propyl)amino]ethanimidamide
CID 76927761
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
N'-hydroxy-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanimidamide
CID 76927657
4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290637
N'-hydroxy-2-[2-(3-methylbutoxy)ethyl-propylamino]ethanimidamide
CID 76927622
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
2-(dibutylamino)-N'-hydroxyethanimidamide
CID 74859795

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide (CID 77073443) is N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide is CCCN(CCOc1ccc(OC)cc1)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide?
The InChIKey is SGIRWMRSTIRDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-8-17(11-14(15)16-18)9-10-20-13-6-4-12(19-2)5-7-13/h4-7,18H,3,8-11H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide?
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propylamino]ethanimidamide has a molecular weight of 281.36 g/mol, XLogP of 1.53, 9 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-propylamino]ethanimidamide is sourced from PubChem (CID 77073443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).