(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium

C20H26NO3+ — CID 7380519

IUPAC(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESC=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C20H25NO3/c1-4-12-24-19-11-8-17(13-20(19)23-5-2)15-21-14-16-6-9-18(22-3)10-7-16/h4,6-11,13,21H,1,5,12,14-15H2,2-3H3/p+1
InChIKeyFMJSQBLPTSRWCE-UHFFFAOYSA-O
MW328.43 g/mol
LogP2.92
Rot. Bonds10

About (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium

(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium (PubChem CID 7380519) has the molecular formula C20H26NO3+ and a molecular weight of 328.43 g/mol. Its IUPAC name is (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
PubChem CID7380519
Molecular FormulaC20H26NO3+
Molecular Weight328.43 g/mol
Exact Mass328.19
IUPAC Name(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESC=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C20H25NO3/c1-4-12-24-19-11-8-17(13-20(19)23-5-2)15-21-14-16-6-9-18(22-3)10-7-16/h4,6-11,13,21H,1,5,12,14-15H2,2-3H3/p+1
InChIKeyFMJSQBLPTSRWCE-UHFFFAOYSA-O
XLogP2.92
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 8636099
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxypropyl]azanium
CID 7991499
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458277
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
CID 7379837
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178
4-ethoxy-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126126146
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 66525608
4-[[(3-ethoxy-4-methoxyphenyl)methylazaniumyl]methyl]benzoate
CID 7311658
(4-ethoxy-3-methoxyphenyl)methyl-[(3R)-3-(4-methoxyphenyl)-6-methylheptyl]azanium
CID 7714670

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium (CID 7380519) is (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium is C=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is FMJSQBLPTSRWCE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25NO3/c1-4-12-24-19-11-8-17(13-20(19)23-5-2)15-21-14-16-6-9-18(22-3)10-7-16/h4,6-11,13,21H,1,5,12,14-15H2,2-3H3/p+1.
What are the key properties of (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 328.43 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 7380519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).