2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide

C22H26N2O3 — CID 56878946

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)cc1OC
InChIInChI=1S/C22H26N2O3/c1-13-8-17(22-18(9-13)14(2)15(3)24-22)12-23-21(25)11-16-6-7-19(26-4)20(10-16)27-5/h6-10,24H,11-12H2,1-5H3,(H,23,25)
InChIKeyKAQJKGSSBRHIOX-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.97
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 56878946) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
PubChem CID56878946
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)cc1OC
InChIInChI=1S/C22H26N2O3/c1-13-8-17(22-18(9-13)14(2)15(3)24-22)12-23-21(25)11-16-6-7-19(26-4)20(10-16)27-5/h6-10,24H,11-12H2,1-5H3,(H,23,25)
InChIKeyKAQJKGSSBRHIOX-UHFFFAOYSA-N
XLogP3.97
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113199047
2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324558
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
1,2-dimethoxy-4-[2-[[2-[methyl(sulfinato)amino]phenyl]methylamino]-2-oxoethyl]benzene
CID 174837834
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769143
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
1-ethyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]benzotriazole-5-carboxamide
CID 51126213
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide (CID 56878946) is 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is KAQJKGSSBRHIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-13-8-17(22-18(9-13)14(2)15(3)24-22)12-23-21(25)11-16-6-7-19(26-4)20(10-16)27-5/h6-10,24H,11-12H2,1-5H3,(H,23,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 56878946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).