2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide

C27H28N2O5 — CID 53099252

IUPAC2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(CNC(=O)Cc4ccc(OC)c(OC)c4)cc32)cc1
InChIInChI=1S/C27H28N2O5/c1-32-22-9-7-21(8-10-22)27(31)29-13-12-20-6-4-19(14-23(20)29)17-28-26(30)16-18-5-11-24(33-2)25(15-18)34-3/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,28,30)
InChIKeyKHKLOBVOMBLMFG-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.77
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide (PubChem CID 53099252) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
PubChem CID53099252
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(CNC(=O)Cc4ccc(OC)c(OC)c4)cc32)cc1
InChIInChI=1S/C27H28N2O5/c1-32-22-9-7-21(8-10-22)27(31)29-13-12-20-6-4-19(14-23(20)29)17-28-26(30)16-18-5-11-24(33-2)25(15-18)34-3/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,28,30)
InChIKeyKHKLOBVOMBLMFG-UHFFFAOYSA-N
XLogP3.77
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
CID 53160371
2-cyclopentyl-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099268
1-(2,4-dimethoxyphenyl)-3-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099677
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
ethyl (2S)-2-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]propanoate
CID 95081927
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzamide
CID 53093752
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 53160326
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 167792230
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide (CID 53099252) is 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide is COc1ccc(C(=O)N2CCc3ccc(CNC(=O)Cc4ccc(OC)c(OC)c4)cc32)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide?
The InChIKey is KHKLOBVOMBLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-32-22-9-7-21(8-10-22)27(31)29-13-12-20-6-4-19(14-23(20)29)17-28-26(30)16-18-5-11-24(33-2)25(15-18)34-3/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,28,30).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide has a molecular weight of 460.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide is sourced from PubChem (CID 53099252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).