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

C28H32N2O2 — CID 38019865

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
SMILESCC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C28H32N2O2/c1-21(2)32-26-15-11-22(12-16-26)6-5-18-29-28(31)25-13-9-23(10-14-25)20-30-19-17-24-7-3-4-8-27(24)30/h3-4,7-16,21H,5-6,17-20H2,1-2H3,(H,29,31)
InChIKeyIQZKRPFKGIJDTM-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.40
Rot. Bonds9

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

4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide (PubChem CID 38019865) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
PubChem CID38019865
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
SMILESCC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C28H32N2O2/c1-21(2)32-26-15-11-22(12-16-26)6-5-18-29-28(31)25-13-9-23(10-14-25)20-30-19-17-24-7-3-4-8-27(24)30/h3-4,7-16,21H,5-6,17-20H2,1-2H3,(H,29,31)
InChIKeyIQZKRPFKGIJDTM-UHFFFAOYSA-N
XLogP5.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.40
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-methoxyphenyl)propyl]benzamide
CID 43910261
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
CID 92682378
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 92682372
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-[3-(dimethylamino)propyl]benzamide
CID 92682379
2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 92684563
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 43886668

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide (CID 38019865) is 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide is CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide?
The InChIKey is IQZKRPFKGIJDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-21(2)32-26-15-11-22(12-16-26)6-5-18-29-28(31)25-13-9-23(10-14-25)20-30-19-17-24-7-3-4-8-27(24)30/h3-4,7-16,21H,5-6,17-20H2,1-2H3,(H,29,31).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide?
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 5.40, 9 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-propan-2-yloxyphenyl)propyl]benzamide is sourced from PubChem (CID 38019865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).