N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide

C15H23N3O3 — CID 81296988

IUPACN'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N(C)CC2CCCOC2)c1
InChIInChI=1S/C15H23N3O3/c1-18(9-11-4-3-7-21-10-11)14-8-12(20-2)5-6-13(14)15(16)17-19/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H2,16,17)
InChIKeyGZBPTXRYQRJJQX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.65
Rot. Bonds5

About N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide

N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide (PubChem CID 81296988) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
PubChem CID81296988
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N(C)CC2CCCOC2)c1
InChIInChI=1S/C15H23N3O3/c1-18(9-11-4-3-7-21-10-11)14-8-12(20-2)5-6-13(14)15(16)17-19/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H2,16,17)
InChIKeyGZBPTXRYQRJJQX-UHFFFAOYSA-N
XLogP1.65
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.65
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-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951613
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306773
N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951558
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
3-chloro-N'-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739474
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302704
4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
5-methyl-2-[methyl(oxan-3-ylmethyl)amino]benzenecarbothioamide
CID 107928994
5-methoxy-2-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]phenol
CID 82980691
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide (CID 81296988) is N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide is COc1ccc(/C(N)=N/O)c(N(C)CC2CCCOC2)c1.
What is the InChIKey of N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is GZBPTXRYQRJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(9-11-4-3-7-21-10-11)14-8-12(20-2)5-6-13(14)15(16)17-19/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide?
N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 293.37 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 81296988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).