2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide

C27H26N2O3 — CID 10741107

IUPAC2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C27H26N2O3/c1-28(16-15-21-9-4-2-5-10-21)26(31)18-29-17-23(19-30)27-24(29)13-8-14-25(27)32-20-22-11-6-3-7-12-22/h2-14,17,19H,15-16,18,20H2,1H3
InChIKeyZYNRDTBRGYLTLA-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.73
Rot. Bonds9

About 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide

2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 10741107) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID10741107
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
SMILESCN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2c(OCc3ccccc3)cccc21
InChIInChI=1S/C27H26N2O3/c1-28(16-15-21-9-4-2-5-10-21)26(31)18-29-17-23(19-30)27-24(29)13-8-14-25(27)32-20-22-11-6-3-7-12-22/h2-14,17,19H,15-16,18,20H2,1H3
InChIKeyZYNRDTBRGYLTLA-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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Related Compounds

1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 10503348
N-methyl-N-(2-phenylethyl)-2-[4-phenylmethoxy-3-[(E)-2-(2H-tetrazol-5-yl)prop-1-enyl]indol-1-yl]acetamide
CID 19372252
(E)-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoic acid
CID 10814139
2-[[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]methylidene]butanoic acid
CID 54097807
2-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]acetic acid
CID 11798055
ethyl (Z)-2-methyl-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate
CID 19372330
3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-6-phenylmethoxyindol-3-yl]propanoic acid
CID 19372228
methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carbonyl]benzoate
CID 10650511
methyl 3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoate
CID 19372238
2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 154159939
3-[1-[2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoic acid
CID 19372260
3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethoxy]-1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]indol-3-yl]propanoic acid
CID 54082208

Frequently Asked Questions

What is the IUPAC name of 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide (CID 10741107) is 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)C(=O)Cn1cc(C=O)c2c(OCc3ccccc3)cccc21.
What is the InChIKey of 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is ZYNRDTBRGYLTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-28(16-15-21-9-4-2-5-10-21)26(31)18-29-17-23(19-30)27-24(29)13-8-14-25(27)32-20-22-11-6-3-7-12-22/h2-14,17,19H,15-16,18,20H2,1H3.
What are the key properties of 2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide?
2-(3-formyl-4-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-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 10741107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).