3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide

C24H30N2O2 — CID 5059595

IUPAC3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H30N2O2/c1-19(2)28-16-8-15-25-24(27)14-13-21-18-26(17-20-9-4-3-5-10-20)23-12-7-6-11-22(21)23/h3-7,9-12,18-19H,8,13-17H2,1-2H3,(H,25,27)
InChIKeyDHKZIHCTUYTQMM-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.55
Rot. Bonds10

About 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide

3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 5059595) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID5059595
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H30N2O2/c1-19(2)28-16-8-15-25-24(27)14-13-21-18-26(17-20-9-4-3-5-10-20)23-12-7-6-11-22(21)23/h3-7,9-12,18-19H,8,13-17H2,1-2H3,(H,25,27)
InChIKeyDHKZIHCTUYTQMM-UHFFFAOYSA-N
XLogP4.55
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.55
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide (CID 5059595) is 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)CCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is DHKZIHCTUYTQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-19(2)28-16-8-15-25-24(27)14-13-21-18-26(17-20-9-4-3-5-10-20)23-12-7-6-11-22(21)23/h3-7,9-12,18-19H,8,13-17H2,1-2H3,(H,25,27).
What are the key properties of 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide?
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 378.52 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 5059595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).