N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide

C14H23N3O2 — CID 77031375

IUPACN'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide
SMILESCc1ccc(OCC(C)NCC(C)C(N)=NO)cc1
InChIInChI=1S/C14H23N3O2/c1-10-4-6-13(7-5-10)19-9-12(3)16-8-11(2)14(15)17-18/h4-7,11-12,16,18H,8-9H2,1-3H3,(H2,15,17)
InChIKeyBUGLOXCHGLDLFJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.73
Rot. Bonds7

About N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide

N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide (PubChem CID 77031375) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide
PubChem CID77031375
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide
SMILESCc1ccc(OCC(C)NCC(C)C(N)=NO)cc1
InChIInChI=1S/C14H23N3O2/c1-10-4-6-13(7-5-10)19-9-12(3)16-8-11(2)14(15)17-18/h4-7,11-12,16,18H,8-9H2,1-3H3,(H2,15,17)
InChIKeyBUGLOXCHGLDLFJ-UHFFFAOYSA-N
XLogP1.73
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.73
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'-hydroxy-2,2-dimethyl-4-[1-(4-methylphenoxy)propan-2-ylamino]butanimidamide
CID 77062218
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide
CID 114987511
2-ethyl-1-[1-(4-methylphenoxy)propan-2-yl]guanidine
CID 55064194
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412
6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
CID 107703257
ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
CID 61168707
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
2,3-dichloro-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-en-1-amine
CID 79168016
(2S)-N'-hydroxy-2-methyl-3-(4-methylphenyl)propanimidamide
CID 172940678
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide (CID 77031375) is N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide is Cc1ccc(OCC(C)NCC(C)C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide?
The InChIKey is BUGLOXCHGLDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-4-6-13(7-5-10)19-9-12(3)16-8-11(2)14(15)17-18/h4-7,11-12,16,18H,8-9H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide?
N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide has a molecular weight of 265.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanimidamide is sourced from PubChem (CID 77031375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).