acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine

C22H26N2O3 — CID 145261116

IUPACacetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
SMILESCC(=O)O.[H]/N=C(/Cc1ccccc1C)c1cn(COCC)c2ccccc12
InChIInChI=1S/C20H22N2O.C2H4O2/c1-3-23-14-22-13-18(17-10-6-7-11-20(17)22)19(21)12-16-9-5-4-8-15(16)2;1-2(3)4/h4-11,13,21H,3,12,14H2,1-2H3;1H3,(H,3,4)/b21-19-;
InChIKeyUXZUUUJBKKDVQE-WQGAEACMSA-N
MW366.46 g/mol
LogP4.65
Rot. Bonds6

About acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine

acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine (PubChem CID 145261116) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine.

Molecular Properties

Compound Nameacetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
PubChem CID145261116
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameacetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
SMILESCC(=O)O.[H]/N=C(/Cc1ccccc1C)c1cn(COCC)c2ccccc12
InChIInChI=1S/C20H22N2O.C2H4O2/c1-3-23-14-22-13-18(17-10-6-7-11-20(17)22)19(21)12-16-9-5-4-8-15(16)2;1-2(3)4/h4-11,13,21H,3,12,14H2,1-2H3;1H3,(H,3,4)/b21-19-;
InChIKeyUXZUUUJBKKDVQE-WQGAEACMSA-N
XLogP4.65
TPSA75.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937853
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
CID 144937970
acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
CID 144937830
benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 145261102
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937875
1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937984
1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937869
[(E)-[1-(1-benzylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] propanoate
CID 126609755
1-(1-benzylindol-3-yl)ethanimine;propanoic acid
CID 144937842
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
2-ethoxy-N-[(2-methylphenyl)methyl]acetamide
CID 60646213
2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 164781411

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The IUPAC name of acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine (CID 145261116) is acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine.
What is the SMILES notation for acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The canonical SMILES for acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine is CC(=O)O.[H]/N=C(/Cc1ccccc1C)c1cn(COCC)c2ccccc12.
What is the InChIKey of acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The InChIKey is UXZUUUJBKKDVQE-WQGAEACMSA-N. The full InChI is InChI=1S/C20H22N2O.C2H4O2/c1-3-23-14-22-13-18(17-10-6-7-11-20(17)22)19(21)12-16-9-5-4-8-15(16)2;1-2(3)4/h4-11,13,21H,3,12,14H2,1-2H3;1H3,(H,3,4)/b21-19-;.
What are the key properties of acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine has a molecular weight of 366.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine is sourced from PubChem (CID 145261116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).