2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

C25H34N4O3 — CID 16801993

IUPAC2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1ccc2c(c1)CCN2C)N1CCN(C)CC1
InChIInChI=1S/C25H34N4O3/c1-27-12-14-29(15-13-27)22(19-8-9-21-20(16-19)10-11-28(21)2)17-26-25(30)18-32-24-7-5-4-6-23(24)31-3/h4-9,16,22H,10-15,17-18H2,1-3H3,(H,26,30)
InChIKeyGLNWJRPZONRYTG-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.17
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 16801993) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID16801993
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1ccc2c(c1)CCN2C)N1CCN(C)CC1
InChIInChI=1S/C25H34N4O3/c1-27-12-14-29(15-13-27)22(19-8-9-21-20(16-19)10-11-28(21)2)17-26-25(30)18-32-24-7-5-4-6-23(24)31-3/h4-9,16,22H,10-15,17-18H2,1-3H3,(H,26,30)
InChIKeyGLNWJRPZONRYTG-UHFFFAOYSA-N
XLogP2.17
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30577498
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
1-(2-ethoxyphenyl)-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 51696890
2-(2,4-dichlorophenoxy)-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40890264
N'-(2-methoxyphenyl)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 16802045
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 40890280
N'-(3-methoxyphenyl)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16802024
N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915
N-(2-methoxyethyl)-N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576639
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
2-(4-methoxyphenoxy)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40949003
2-(3-methoxyphenoxy)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]acetamide
CID 40948997

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 16801993) is 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is COc1ccccc1OCC(=O)NCC(c1ccc2c(c1)CCN2C)N1CCN(C)CC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is GLNWJRPZONRYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-27-12-14-29(15-13-27)22(19-8-9-21-20(16-19)10-11-28(21)2)17-26-25(30)18-32-24-7-5-4-6-23(24)31-3/h4-9,16,22H,10-15,17-18H2,1-3H3,(H,26,30).
What are the key properties of 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 16801993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).