2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide

C25H25N3O3 — CID 52659609

IUPAC2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCc1ccc(OCCOc2ccccc2)nc1
InChIInChI=1S/C25H25N3O3/c1-19-15-21-7-5-6-10-23(21)28(19)18-24(29)26-16-20-11-12-25(27-17-20)31-14-13-30-22-8-3-2-4-9-22/h2-12,15,17H,13-14,16,18H2,1H3,(H,26,29)
InChIKeyCBEGWOJGWDOJQO-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.12
Rot. Bonds9

About 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide

2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 52659609) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide
PubChem CID52659609
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCc1ccc(OCCOc2ccccc2)nc1
InChIInChI=1S/C25H25N3O3/c1-19-15-21-7-5-6-10-23(21)28(19)18-24(29)26-16-20-11-12-25(27-17-20)31-14-13-30-22-8-3-2-4-9-22/h2-12,15,17H,13-14,16,18H2,1H3,(H,26,29)
InChIKeyCBEGWOJGWDOJQO-UHFFFAOYSA-N
XLogP4.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 87026592
N-[4-(4-fluorophenoxy)butyl]-2-(2-methylindol-1-yl)acetamide
CID 43060850
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60981974
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-(2-methylindol-1-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 9093001
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620
N-methyl-3-[[[2-(2-methylindol-1-yl)acetyl]amino]methyl]benzamide
CID 30858933
[3-(benzylcarbamoylamino)-3-oxopropyl] 2-(2-methylindol-1-yl)acetate
CID 18267144
1-acetyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 47062766
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
CID 91625403
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 55801706
ethyl 1-[N'-methyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157806

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide (CID 52659609) is 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide is Cc1cc2ccccc2n1CC(=O)NCc1ccc(OCCOc2ccccc2)nc1.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is CBEGWOJGWDOJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-19-15-21-7-5-6-10-23(21)28(19)18-24(29)26-16-20-11-12-25(27-17-20)31-14-13-30-22-8-3-2-4-9-22/h2-12,15,17H,13-14,16,18H2,1H3,(H,26,29).
What are the key properties of 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide?
2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 52659609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).