N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide

C20H28N2O2 — CID 97114573

IUPACN-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(C[C@H]1CCCCO1)C(=O)c1[nH]c2c(C)cc(C)cc2c1C
InChIInChI=1S/C20H28N2O2/c1-5-22(12-16-8-6-7-9-24-16)20(23)19-15(4)17-11-13(2)10-14(3)18(17)21-19/h10-11,16,21H,5-9,12H2,1-4H3/t16-/m1/s1
InChIKeyDJNGQUMLTXIYNG-MRXNPFEDSA-N
MW328.46 g/mol
LogP4.12
Rot. Bonds4

About N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide

N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 97114573) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide
PubChem CID97114573
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESCCN(C[C@H]1CCCCO1)C(=O)c1[nH]c2c(C)cc(C)cc2c1C
InChIInChI=1S/C20H28N2O2/c1-5-22(12-16-8-6-7-9-24-16)20(23)19-15(4)17-11-13(2)10-14(3)18(17)21-19/h10-11,16,21H,5-9,12H2,1-4H3/t16-/m1/s1
InChIKeyDJNGQUMLTXIYNG-MRXNPFEDSA-N
XLogP4.12
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide (CID 97114573) is N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide is CCN(C[C@H]1CCCCO1)C(=O)c1[nH]c2c(C)cc(C)cc2c1C.
What is the InChIKey of N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is DJNGQUMLTXIYNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-22(12-16-8-6-7-9-24-16)20(23)19-15(4)17-11-13(2)10-14(3)18(17)21-19/h10-11,16,21H,5-9,12H2,1-4H3/t16-/m1/s1.
What are the key properties of N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide?
N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5,7-trimethyl-N-[[(2R)-oxan-2-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 97114573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).