2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide

C24H30N2O3 — CID 24860461

IUPAC2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide
SMILESCCCCCOc1ccccc1Cn1c(C)c(CC(N)=O)c2cc(OC)ccc21
InChIInChI=1S/C24H30N2O3/c1-4-5-8-13-29-23-10-7-6-9-18(23)16-26-17(2)20(15-24(25)27)21-14-19(28-3)11-12-22(21)26/h6-7,9-12,14H,4-5,8,13,15-16H2,1-3H3,(H2,25,27)
InChIKeyQRNXMAPLYGWTRJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.60
Rot. Bonds10

About 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide

2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide (PubChem CID 24860461) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide
PubChem CID24860461
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide
SMILESCCCCCOc1ccccc1Cn1c(C)c(CC(N)=O)c2cc(OC)ccc21
InChIInChI=1S/C24H30N2O3/c1-4-5-8-13-29-23-10-7-6-9-18(23)16-26-17(2)20(15-24(25)27)21-14-19(28-3)11-12-22(21)26/h6-7,9-12,14H,4-5,8,13,15-16H2,1-3H3,(H2,25,27)
InChIKeyQRNXMAPLYGWTRJ-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide?
The IUPAC name of 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide (CID 24860461) is 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide.
What is the SMILES notation for 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide?
The canonical SMILES for 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide is CCCCCOc1ccccc1Cn1c(C)c(CC(N)=O)c2cc(OC)ccc21.
What is the InChIKey of 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide?
The InChIKey is QRNXMAPLYGWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-5-8-13-29-23-10-7-6-9-18(23)16-26-17(2)20(15-24(25)27)21-14-19(28-3)11-12-22(21)26/h6-7,9-12,14H,4-5,8,13,15-16H2,1-3H3,(H2,25,27).
What are the key properties of 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide?
2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-methyl-1-[(2-pentoxyphenyl)methyl]indol-3-yl]acetamide is sourced from PubChem (CID 24860461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).