ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde

C25H34N2O3 — CID 142617231

IUPACethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde
SMILESCC.CCCCCOc1cc(/N=C/C2Cc3ccccc3N2C=O)c(C)cc1OC
InChIInChI=1S/C23H28N2O3.C2H6/c1-4-5-8-11-28-23-14-20(17(2)12-22(23)27-3)24-15-19-13-18-9-6-7-10-21(18)25(19)16-26;1-2/h6-7,9-10,12,14-16,19H,4-5,8,11,13H2,1-3H3;1-2H3/b24-15+;
InChIKeyMGSCUGSNPKNGAO-CFYFISJPSA-N
MW410.56 g/mol
LogP5.89
Rot. Bonds9

About ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde

ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde (PubChem CID 142617231) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Nameethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde
PubChem CID142617231
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Nameethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde
SMILESCC.CCCCCOc1cc(/N=C/C2Cc3ccccc3N2C=O)c(C)cc1OC
InChIInChI=1S/C23H28N2O3.C2H6/c1-4-5-8-11-28-23-14-20(17(2)12-22(23)27-3)24-15-19-13-18-9-6-7-10-21(18)25(19)16-26;1-2/h6-7,9-10,12,14-16,19H,4-5,8,11,13H2,1-3H3;1-2H3/b24-15+;
InChIKeyMGSCUGSNPKNGAO-CFYFISJPSA-N
XLogP5.89
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 178313694
1-[alpha-(Trifluoromethyl)benzyl]-5,6-dimethoxyindoline
CID 12151505
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4-(3-Fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,3a-tetrahydrocyclopenta[b]quinoline
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5-Ethyl-2-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-6-one
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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde (CID 142617231) is ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde is CC.CCCCCOc1cc(/N=C/C2Cc3ccccc3N2C=O)c(C)cc1OC.
What is the InChIKey of ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is MGSCUGSNPKNGAO-CFYFISJPSA-N. The full InChI is InChI=1S/C23H28N2O3.C2H6/c1-4-5-8-11-28-23-14-20(17(2)12-22(23)27-3)24-15-19-13-18-9-6-7-10-21(18)25(19)16-26;1-2/h6-7,9-10,12,14-16,19H,4-5,8,11,13H2,1-3H3;1-2H3/b24-15+;.
What are the key properties of ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde?
ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 410.56 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-methoxy-2-methyl-5-pentoxyphenyl)iminomethyl]-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 142617231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).