3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide

C26H26N2O5 — CID 53099251

IUPAC3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(CNC(=O)c4cc(OC)cc(OC)c4)cc32)cc1
InChIInChI=1S/C26H26N2O5/c1-31-21-8-6-19(7-9-21)26(30)28-11-10-18-5-4-17(12-24(18)28)16-27-25(29)20-13-22(32-2)15-23(14-20)33-3/h4-9,12-15H,10-11,16H2,1-3H3,(H,27,29)
InChIKeyINZZZNNHVJBMOJ-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.85
Rot. Bonds7

About 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide

3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide (PubChem CID 53099251) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
PubChem CID53099251
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(CNC(=O)c4cc(OC)cc(OC)c4)cc32)cc1
InChIInChI=1S/C26H26N2O5/c1-31-21-8-6-19(7-9-21)26(30)28-11-10-18-5-4-17(12-24(18)28)16-27-25(29)20-13-22(32-2)15-23(14-20)33-3/h4-9,12-15H,10-11,16H2,1-3H3,(H,27,29)
InChIKeyINZZZNNHVJBMOJ-UHFFFAOYSA-N
XLogP3.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.85
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
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099252
2-cyclopentyl-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099268
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-(2,4-dimethoxyphenyl)-3-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099677
ethyl (2S)-2-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]propanoate
CID 95081927
3-methoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzamide
CID 53093620
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-6-carboxamide
CID 53160371
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-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide (CID 53099251) is 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide is COc1ccc(C(=O)N2CCc3ccc(CNC(=O)c4cc(OC)cc(OC)c4)cc32)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide?
The InChIKey is INZZZNNHVJBMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-31-21-8-6-19(7-9-21)26(30)28-11-10-18-5-4-17(12-24(18)28)16-27-25(29)20-13-22(32-2)15-23(14-20)33-3/h4-9,12-15H,10-11,16H2,1-3H3,(H,27,29).
What are the key properties of 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide?
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide has a molecular weight of 446.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide is sourced from PubChem (CID 53099251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).