N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide

C14H23N3O3 — CID 114482862

IUPACN'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide
SMILESCOCCOCCNCc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C14H23N3O3/c1-11-9-12(14(15)17-18)3-4-13(11)10-16-5-6-20-8-7-19-2/h3-4,9,16,18H,5-8,10H2,1-2H3,(H2,15,17)
InChIKeyCBSKFVMGNPUIIE-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.84
Rot. Bonds9

About N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide

N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide (PubChem CID 114482862) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide
PubChem CID114482862
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide
SMILESCOCCOCCNCc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C14H23N3O3/c1-11-9-12(14(15)17-18)3-4-13(11)10-16-5-6-20-8-7-19-2/h3-4,9,16,18H,5-8,10H2,1-2H3,(H2,15,17)
InChIKeyCBSKFVMGNPUIIE-UHFFFAOYSA-N
XLogP0.84
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-[(3-ethoxypropylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482681
N'-hydroxy-4-[(5-hydroxypentylamino)methyl]-3-methylbenzenecarboximidamide
CID 107317916
N'-hydroxy-4-[(6-hydroxyhexylamino)methyl]-3-methylbenzenecarboximidamide
CID 107853266
3-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]methylamino]ethyl]-1,1-dimethylurea
CID 114483056
N'-hydroxy-4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114482519
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482972
N'-hydroxy-3-methyl-4-[[2-(triazol-1-yl)ethylamino]methyl]benzenecarboximidamide
CID 114483081
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482916
4-(2-methoxyethoxymethyl)-3-methylbenzenecarbothioamide
CID 114482192
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide (CID 114482862) is N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide is COCCOCCNCc1ccc(/C(N)=N/O)cc1C.
What is the InChIKey of N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide?
The InChIKey is CBSKFVMGNPUIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11-9-12(14(15)17-18)3-4-13(11)10-16-5-6-20-8-7-19-2/h3-4,9,16,18H,5-8,10H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide?
N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide has a molecular weight of 281.36 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[2-(2-methoxyethoxy)ethylamino]methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114482862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).