2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide

C27H28N2O2 — CID 46464817

IUPAC2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NCc3ccc(COCc4ccccc4)cc3)c2c1
InChIInChI=1S/C27H28N2O2/c1-19-8-13-26-25(14-19)24(20(2)29-26)15-27(30)28-16-21-9-11-23(12-10-21)18-31-17-22-6-4-3-5-7-22/h3-14,29H,15-18H2,1-2H3,(H,28,30)
InChIKeyGFCMHTNZZILYAR-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.36
Rot. Bonds8

About 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide

2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 46464817) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID46464817
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NCc3ccc(COCc4ccccc4)cc3)c2c1
InChIInChI=1S/C27H28N2O2/c1-19-8-13-26-25(14-19)24(20(2)29-26)15-27(30)28-16-21-9-11-23(12-10-21)18-31-17-22-6-4-3-5-7-22/h3-14,29H,15-18H2,1-2H3,(H,28,30)
InChIKeyGFCMHTNZZILYAR-UHFFFAOYSA-N
XLogP5.36
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46591179
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]acetamide
CID 46443208
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456585
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55713643
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
2-(2,5-dimethyl-1H-indol-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]acetamide
CID 49353824

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 46464817) is 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide is Cc1ccc2[nH]c(C)c(CC(=O)NCc3ccc(COCc4ccccc4)cc3)c2c1.
What is the InChIKey of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is GFCMHTNZZILYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-19-8-13-26-25(14-19)24(20(2)29-26)15-27(30)28-16-21-9-11-23(12-10-21)18-31-17-22-6-4-3-5-7-22/h3-14,29H,15-18H2,1-2H3,(H,28,30).
What are the key properties of 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46464817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).