2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide

C21H24N2O2 — CID 56800420

IUPAC2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide
SMILESCOc1ccc2c(c1)CCN2CC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C21H24N2O2/c1-25-18-8-9-19-16(14-18)10-13-23(19)15-20(24)22-21(11-5-12-21)17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,24)
InChIKeyXMHCRRSHLOUVIH-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.25
Rot. Bonds5

About 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide

2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide (PubChem CID 56800420) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide
PubChem CID56800420
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide
SMILESCOc1ccc2c(c1)CCN2CC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C21H24N2O2/c1-25-18-8-9-19-16(14-18)10-13-23(19)15-20(24)22-21(11-5-12-21)17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,24)
InChIKeyXMHCRRSHLOUVIH-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide?
The IUPAC name of 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide (CID 56800420) is 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide?
The canonical SMILES for 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide is COc1ccc2c(c1)CCN2CC(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide?
The InChIKey is XMHCRRSHLOUVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-18-8-9-19-16(14-18)10-13-23(19)15-20(24)22-21(11-5-12-21)17-6-3-2-4-7-17/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,24).
What are the key properties of 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide?
2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide is sourced from PubChem (CID 56800420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).