5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide

C20H22N2O2 — CID 144936099

IUPAC5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide
SMILESCOc1ccc2[nH]c(C)cc2c1.O=CNC1(c2ccccc2)CC1
InChIInChI=1S/2C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;12-8-11-10(6-7-10)9-4-2-1-3-5-9/h3-6,11H,1-2H3;1-5,8H,6-7H2,(H,11,12)
InChIKeyUOFYSOPKQGIEFX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.91
Rot. Bonds4

About 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide

5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide (PubChem CID 144936099) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide
PubChem CID144936099
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide
SMILESCOc1ccc2[nH]c(C)cc2c1.O=CNC1(c2ccccc2)CC1
InChIInChI=1S/2C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;12-8-11-10(6-7-10)9-4-2-1-3-5-9/h3-6,11H,1-2H3;1-5,8H,6-7H2,(H,11,12)
InChIKeyUOFYSOPKQGIEFX-UHFFFAOYSA-N
XLogP3.91
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide?
The IUPAC name of 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide (CID 144936099) is 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide.
What is the SMILES notation for 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide?
The canonical SMILES for 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide is COc1ccc2[nH]c(C)cc2c1.O=CNC1(c2ccccc2)CC1.
What is the InChIKey of 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide?
The InChIKey is UOFYSOPKQGIEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7;12-8-11-10(6-7-10)9-4-2-1-3-5-9/h3-6,11H,1-2H3;1-5,8H,6-7H2,(H,11,12).
What are the key properties of 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide?
5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide has a molecular weight of 322.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-1H-indole;N-(1-phenylcyclopropyl)formamide is sourced from PubChem (CID 144936099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).