5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde

C23H26N2O3 — CID 167454942

IUPAC5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde
SMILESCCOCc1cc(NC2CCOCC2)c2[nH]c(-c3ccccc3)c(C=O)c2c1
InChIInChI=1S/C23H26N2O3/c1-2-27-15-16-12-19-20(14-26)22(17-6-4-3-5-7-17)25-23(19)21(13-16)24-18-8-10-28-11-9-18/h3-7,12-14,18,24-25H,2,8-11,15H2,1H3
InChIKeyKYFKVRKXLASUBL-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.77
Rot. Bonds7

About 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde

5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde (PubChem CID 167454942) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde
PubChem CID167454942
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde
SMILESCCOCc1cc(NC2CCOCC2)c2[nH]c(-c3ccccc3)c(C=O)c2c1
InChIInChI=1S/C23H26N2O3/c1-2-27-15-16-12-19-20(14-26)22(17-6-4-3-5-7-17)25-23(19)21(13-16)24-18-8-10-28-11-9-18/h3-7,12-14,18,24-25H,2,8-11,15H2,1H3
InChIKeyKYFKVRKXLASUBL-UHFFFAOYSA-N
XLogP4.77
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(ethoxymethyl)-3-(methoxymethyl)-1-methyl-N-(oxan-4-yl)-2-phenylindol-7-amine
CID 167454894
5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine
CID 167454887
3-bromo-5-[(1,1-dioxo-1,4-thiazin-4-yl)methyl]-N-(oxan-4-yl)-2-phenyl-1H-indol-7-amine
CID 174608682
N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine
CID 167454761
5,7-difluoro-2-phenyl-1H-indole-3-carbaldehyde
CID 3764399
5-(methoxymethyl)-N-(1-methylsulfonylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 167454960
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine
CID 25215212
N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide
CID 87310125
N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine
CID 167454832

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde (CID 167454942) is 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde is CCOCc1cc(NC2CCOCC2)c2[nH]c(-c3ccccc3)c(C=O)c2c1.
What is the InChIKey of 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde?
The InChIKey is KYFKVRKXLASUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-27-15-16-12-19-20(14-26)22(17-6-4-3-5-7-17)25-23(19)21(13-16)24-18-8-10-28-11-9-18/h3-7,12-14,18,24-25H,2,8-11,15H2,1H3.
What are the key properties of 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde?
5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde has a molecular weight of 378.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-7-(oxan-4-ylamino)-2-phenyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 167454942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).