4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

C15H23N3O3 — CID 106790134

IUPAC4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O3/c1-10-7-18(8-11(2)21-10)9-12-4-5-13(15(16)17-19)14(6-12)20-3/h4-6,10-11,19H,7-9H2,1-3H3,(H2,16,17)/t10-,11+
InChIKeyOTZHMGQWFBQAMJ-PHIMTYICSA-N
MW293.37 g/mol
LogP1.40
Rot. Bonds4

About 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 106790134) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID106790134
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O3/c1-10-7-18(8-11(2)21-10)9-12-4-5-13(15(16)17-19)14(6-12)20-3/h4-6,10-11,19H,7-9H2,1-3H3,(H2,16,17)/t10-,11+
InChIKeyOTZHMGQWFBQAMJ-PHIMTYICSA-N
XLogP1.40
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.40
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-methoxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 106789290
N'-hydroxy-2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 106789382
N'-hydroxy-2-methoxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 106789288
5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339301
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789334
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
CID 755065
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302590
4-[[cyclobutyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790084
4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 84754118

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 106790134) is 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1cc(CN2C[C@@H](C)O[C@@H](C)C2)ccc1/C(N)=N/O.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is OTZHMGQWFBQAMJ-PHIMTYICSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-7-18(8-11(2)21-10)9-12-4-5-13(15(16)17-19)14(6-12)20-3/h4-6,10-11,19H,7-9H2,1-3H3,(H2,16,17)/t10-,11+.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 293.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106790134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).