6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide

C18H24N2O3 — CID 97008925

IUPAC6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)(C)c1ccc2cc(C(=O)NC[C@@H]3COCCO3)[nH]c2c1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)13-5-4-12-8-16(20-15(12)9-13)17(21)19-10-14-11-22-6-7-23-14/h4-5,8-9,14,20H,6-7,10-11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyGFBLEOMQZAAQLO-CQSZACIVSA-N
MW316.40 g/mol
LogP2.61
Rot. Bonds3

About 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide

6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 97008925) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide
PubChem CID97008925
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide
SMILESCC(C)(C)c1ccc2cc(C(=O)NC[C@@H]3COCCO3)[nH]c2c1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)13-5-4-12-8-16(20-15(12)9-13)17(21)19-10-14-11-22-6-7-23-14/h4-5,8-9,14,20H,6-7,10-11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyGFBLEOMQZAAQLO-CQSZACIVSA-N
XLogP2.61
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide (CID 97008925) is 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide is CC(C)(C)c1ccc2cc(C(=O)NC[C@@H]3COCCO3)[nH]c2c1.
What is the InChIKey of 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is GFBLEOMQZAAQLO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)13-5-4-12-8-16(20-15(12)9-13)17(21)19-10-14-11-22-6-7-23-14/h4-5,8-9,14,20H,6-7,10-11H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide?
6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 97008925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).