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

C27H28N2O5 — CID 41133307

IUPACN-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
SMILESCOc1cc(Cn2cc(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)cc(OC)c1
InChIInChI=1S/C27H28N2O5/c1-31-20-9-10-24(26(15-20)34-4)28-27(30)13-19-17-29(25-8-6-5-7-23(19)25)16-18-11-21(32-2)14-22(12-18)33-3/h5-12,14-15,17H,13,16H2,1-4H3,(H,28,30)
InChIKeyGUHBPUAPXPDPBF-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.91
Rot. Bonds9

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

N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide (PubChem CID 41133307) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
PubChem CID41133307
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
SMILESCOc1cc(Cn2cc(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)cc(OC)c1
InChIInChI=1S/C27H28N2O5/c1-31-20-9-10-24(26(15-20)34-4)28-27(30)13-19-17-29(25-8-6-5-7-23(19)25)16-18-11-21(32-2)14-22(12-18)33-3/h5-12,14-15,17H,13,16H2,1-4H3,(H,28,30)
InChIKeyGUHBPUAPXPDPBF-UHFFFAOYSA-N
XLogP4.91
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
CID 41109158
N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41109175
N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
CID 16820622
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41133345
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 16827128
2-(3-benzylsulfonylindol-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 12005987
3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-methylindole-2-carboxylic acid
CID 4661483
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide (CID 41133307) is N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide is COc1cc(Cn2cc(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)cc(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide?
The InChIKey is GUHBPUAPXPDPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-31-20-9-10-24(26(15-20)34-4)28-27(30)13-19-17-29(25-8-6-5-7-23(19)25)16-18-11-21(32-2)14-22(12-18)33-3/h5-12,14-15,17H,13,16H2,1-4H3,(H,28,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide is sourced from PubChem (CID 41133307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).