2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide

C27H26N2O3 — CID 10741106

IUPAC2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C27H26N2O3/c1-28(15-14-21-8-4-2-5-9-21)27(31)18-29-17-23(19-30)25-16-24(12-13-26(25)29)32-20-22-10-6-3-7-11-22/h2-13,16-17,19H,14-15,18,20H2,1H3
InChIKeyQIDZSYZQYOITCV-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.73
Rot. Bonds9

About 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide

2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 10741106) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID10741106
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C27H26N2O3/c1-28(15-14-21-8-4-2-5-9-21)27(31)18-29-17-23(19-30)25-16-24(12-13-26(25)29)32-20-22-10-6-3-7-11-22/h2-13,16-17,19H,14-15,18,20H2,1H3
InChIKeyQIDZSYZQYOITCV-UHFFFAOYSA-N
XLogP4.73
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide (CID 10741106) is 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is QIDZSYZQYOITCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-28(15-14-21-8-4-2-5-9-21)27(31)18-29-17-23(19-30)25-16-24(12-13-26(25)29)32-20-22-10-6-3-7-11-22/h2-13,16-17,19H,14-15,18,20H2,1H3.
What are the key properties of 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide?
2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formyl-5-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 10741106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).