N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide

C15H18N2O3 — CID 23335495

IUPACN,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide
SMILESCc1cc(OCC2CO2)c2cc(C(=O)N(C)C)[nH]c2c1
InChIInChI=1S/C15H18N2O3/c1-9-4-12-11(6-13(16-12)15(18)17(2)3)14(5-9)20-8-10-7-19-10/h4-6,10,16H,7-8H2,1-3H3
InChIKeyRTACPLJAQIRNLW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.96
Rot. Bonds4

About N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide

N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide (PubChem CID 23335495) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide
PubChem CID23335495
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide
SMILESCc1cc(OCC2CO2)c2cc(C(=O)N(C)C)[nH]c2c1
InChIInChI=1S/C15H18N2O3/c1-9-4-12-11(6-13(16-12)15(18)17(2)3)14(5-9)20-8-10-7-19-10/h4-6,10,16H,7-8H2,1-3H3
InChIKeyRTACPLJAQIRNLW-UHFFFAOYSA-N
XLogP1.96
TPSA57.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide (CID 23335495) is N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide is Cc1cc(OCC2CO2)c2cc(C(=O)N(C)C)[nH]c2c1.
What is the InChIKey of N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide?
The InChIKey is RTACPLJAQIRNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-4-12-11(6-13(16-12)15(18)17(2)3)14(5-9)20-8-10-7-19-10/h4-6,10,16H,7-8H2,1-3H3.
What are the key properties of N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide?
N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 23335495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).