N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide

C19H23N3O2 — CID 139760992

IUPACN-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide
SMILESCON=C(/N=C/N(C)C)c1ccccc1COc1ccccc1C
InChIInChI=1S/C19H23N3O2/c1-15-9-5-8-12-18(15)24-13-16-10-6-7-11-17(16)19(21-23-4)20-14-22(2)3/h5-12,14H,13H2,1-4H3/b20-14+,21-19?
InChIKeyRQLGCMJMUIGBMD-DSCCVAHKSA-N
MW325.41 g/mol
LogP3.47
Rot. Bonds6

About N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide

N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide (PubChem CID 139760992) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide
PubChem CID139760992
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide
SMILESCON=C(/N=C/N(C)C)c1ccccc1COc1ccccc1C
InChIInChI=1S/C19H23N3O2/c1-15-9-5-8-12-18(15)24-13-16-10-6-7-11-17(16)19(21-23-4)20-14-22(2)3/h5-12,14H,13H2,1-4H3/b20-14+,21-19?
InChIKeyRQLGCMJMUIGBMD-DSCCVAHKSA-N
XLogP3.47
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
[2-[(2-methylphenoxy)methyl]phenyl]-pyridin-2-ylmethanone
CID 21264597
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
(1E)-3-hydroxy-1-methoxyimino-1-[2-[(2-methylphenoxy)methyl]phenyl]propan-2-one;iodoform
CID 172949121
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
zinc;manganese(2+);methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
CID 173179399
N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]but-2-enamide
CID 54096799
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine
CID 54072231
methyl N-methyl-N-[2-[(2-methylphenoxy)methyl]phenyl]carbamate
CID 20667664
(2E)-2-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetyl chloride
CID 22878398
1-methyl-2-[[2-(phenoxymethyl)phenyl]methoxy]benzene
CID 151703929

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide (CID 139760992) is N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide is CON=C(/N=C/N(C)C)c1ccccc1COc1ccccc1C.
What is the InChIKey of N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide?
The InChIKey is RQLGCMJMUIGBMD-DSCCVAHKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-9-5-8-12-18(15)24-13-16-10-6-7-11-17(16)19(21-23-4)20-14-22(2)3/h5-12,14H,13H2,1-4H3/b20-14+,21-19?.
What are the key properties of N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide?
N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide has a molecular weight of 325.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-N'-methoxy-2-[(2-methylphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 139760992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).