acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide

C18H22N2O4 — CID 75537360

IUPACacetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(COCc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H18N2O2.C2H4O2/c1-19-15-8-4-13(5-9-15)11-20-10-12-2-6-14(7-3-12)16(17)18;1-2(3)4/h2-9H,10-11H2,1H3,(H3,17,18);1H3,(H,3,4)
InChIKeyCMTYZEDJHFWXCJ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.79
Rot. Bonds6

About acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide

acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide (PubChem CID 75537360) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Nameacetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
PubChem CID75537360
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameacetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
SMILESCC(=O)O.[H]/N=C(\N)c1ccc(COCc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H18N2O2.C2H4O2/c1-19-15-8-4-13(5-9-15)11-20-10-12-2-6-14(7-3-12)16(17)18;1-2(3)4/h2-9H,10-11H2,1H3,(H3,17,18);1H3,(H,3,4)
InChIKeyCMTYZEDJHFWXCJ-UHFFFAOYSA-N
XLogP2.79
TPSA105.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
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

4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride
CID 138961462
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
acetic acid;4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzenecarboximidamide
CID 174413708
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24703974
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide?
The IUPAC name of acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide (CID 75537360) is acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide.
What is the SMILES notation for acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide?
The canonical SMILES for acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide is CC(=O)O.[H]/N=C(\N)c1ccc(COCc2ccc(OC)cc2)cc1.
What is the InChIKey of acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide?
The InChIKey is CMTYZEDJHFWXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.C2H4O2/c1-19-15-8-4-13(5-9-15)11-20-10-12-2-6-14(7-3-12)16(17)18;1-2(3)4/h2-9H,10-11H2,1H3,(H3,17,18);1H3,(H,3,4).
What are the key properties of acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide?
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide has a molecular weight of 330.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide is sourced from PubChem (CID 75537360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).