4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide

C26H28N2O2 — CID 43910261

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N2O2/c1-30-24-14-10-20(11-15-24)5-4-17-27-26(29)23-12-8-21(9-13-23)19-28-18-16-22-6-2-3-7-25(22)28/h2-3,6-15H,4-5,16-19H2,1H3,(H,27,29)
InChIKeyYSYIELPNLAEORI-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.62
Rot. Bonds8

About 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide

4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide (PubChem CID 43910261) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
PubChem CID43910261
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N2O2/c1-30-24-14-10-20(11-15-24)5-4-17-27-26(29)23-12-8-21(9-13-23)19-28-18-16-22-6-2-3-7-25(22)28/h2-3,6-15H,4-5,16-19H2,1H3,(H,27,29)
InChIKeyYSYIELPNLAEORI-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 38019865
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 92684563
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8704403
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 92684505
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-(dimethylamino)propyl]benzamide
CID 92682379
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 43916498
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 92682372
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide (CID 43910261) is 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide is COc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is YSYIELPNLAEORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-30-24-14-10-20(11-15-24)5-4-17-27-26(29)23-12-8-21(9-13-23)19-28-18-16-22-6-2-3-7-25(22)28/h2-3,6-15H,4-5,16-19H2,1H3,(H,27,29).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide?
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 400.52 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 43910261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).