4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide

C16H18N2O3 — CID 81300051

IUPAC4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCc1ccc(OC)cc1
InChIInChI=1S/C16H18N2O3/c1-19-12-5-3-11(4-6-12)10-21-15-9-13(20-2)7-8-14(15)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18)
InChIKeyUMQZRLFNTUNQJQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.57
Rot. Bonds6

About 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide

4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide (PubChem CID 81300051) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
PubChem CID81300051
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OCc1ccc(OC)cc1
InChIInChI=1S/C16H18N2O3/c1-19-12-5-3-11(4-6-12)10-21-15-9-13(20-2)7-8-14(15)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18)
InChIKeyUMQZRLFNTUNQJQ-UHFFFAOYSA-N
XLogP2.57
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.57
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'}

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Related Compounds

2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253513
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 24694243
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide (CID 81300051) is 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1OCc1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide?
The InChIKey is UMQZRLFNTUNQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-19-12-5-3-11(4-6-12)10-21-15-9-13(20-2)7-8-14(15)16(17)18/h3-9H,10H2,1-2H3,(H3,17,18).
What are the key properties of 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide?
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 81300051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).