ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide

C19H26N2O2 — CID 143885211

IUPACethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide
SMILESCC.COc1ccc(C/N=C(\N)c2ccc(C)c(C)c2O)cc1
InChIInChI=1S/C17H20N2O2.C2H6/c1-11-4-9-15(16(20)12(11)2)17(18)19-10-13-5-7-14(21-3)8-6-13;1-2/h4-9,20H,10H2,1-3H3,(H2,18,19);1-2H3
InChIKeySPTUBZLNHIQXIY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.95
Rot. Bonds4

About ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide

ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide (PubChem CID 143885211) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Nameethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide
PubChem CID143885211
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nameethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide
SMILESCC.COc1ccc(C/N=C(\N)c2ccc(C)c(C)c2O)cc1
InChIInChI=1S/C17H20N2O2.C2H6/c1-11-4-9-15(16(20)12(11)2)17(18)19-10-13-5-7-14(21-3)8-6-13;1-2/h4-9,20H,10H2,1-3H3,(H2,18,19);1-2H3
InChIKeySPTUBZLNHIQXIY-UHFFFAOYSA-N
XLogP3.95
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide?
The IUPAC name of ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide (CID 143885211) is ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide.
What is the SMILES notation for ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide?
The canonical SMILES for ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide is CC.COc1ccc(C/N=C(\N)c2ccc(C)c(C)c2O)cc1.
What is the InChIKey of ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide?
The InChIKey is SPTUBZLNHIQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.C2H6/c1-11-4-9-15(16(20)12(11)2)17(18)19-10-13-5-7-14(21-3)8-6-13;1-2/h4-9,20H,10H2,1-3H3,(H2,18,19);1-2H3.
What are the key properties of ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide?
ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide has a molecular weight of 314.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-N'-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzenecarboximidamide is sourced from PubChem (CID 143885211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).