N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide

C14H23N3O2 — CID 107929997

IUPACN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
SMILESCOCCN(c1ccc(C)cc1/C(N)=N/O)C(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)17(7-8-19-4)13-6-5-11(3)9-12(13)14(15)16-18/h5-6,9-10,18H,7-8H2,1-4H3,(H2,15,16)
InChIKeyNBLSDDICNGBTAQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.95
Rot. Bonds6

About N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide

N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide (PubChem CID 107929997) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
PubChem CID107929997
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
SMILESCOCCN(c1ccc(C)cc1/C(N)=N/O)C(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)17(7-8-19-4)13-6-5-11(3)9-12(13)14(15)16-18/h5-6,9-10,18H,7-8H2,1-4H3,(H2,15,16)
InChIKeyNBLSDDICNGBTAQ-UHFFFAOYSA-N
XLogP1.95
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.95
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

N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107929847
5-amino-2-[2-methoxyethyl(propan-2-yl)amino]benzamide
CID 82960995
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828
5-bromo-2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892388
2-[2-methoxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107930430
5-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944743
N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 107929771
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 82951763
5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004426
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide (CID 107929997) is N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide is COCCN(c1ccc(C)cc1/C(N)=N/O)C(C)C.
What is the InChIKey of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide?
The InChIKey is NBLSDDICNGBTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)17(7-8-19-4)13-6-5-11(3)9-12(13)14(15)16-18/h5-6,9-10,18H,7-8H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide?
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107929997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).