5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide

C16H23N3O2 — CID 106249434

IUPAC5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-3-16(4-2,10-20)9-18-15(21)14-8-11-7-12(17)5-6-13(11)19-14/h5-8,19-20H,3-4,9-10,17H2,1-2H3,(H,18,21)
InChIKeyYCIPSUGZEGWGMT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.28
Rot. Bonds6

About 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide

5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide (PubChem CID 106249434) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
PubChem CID106249434
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-3-16(4-2,10-20)9-18-15(21)14-8-11-7-12(17)5-6-13(11)19-14/h5-8,19-20H,3-4,9-10,17H2,1-2H3,(H,18,21)
InChIKeyYCIPSUGZEGWGMT-UHFFFAOYSA-N
XLogP2.28
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
CID 114163943
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
5-amino-N-(thiolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 107294763
5-amino-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215186

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide (CID 106249434) is 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide is CCC(CC)(CO)CNC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide?
The InChIKey is YCIPSUGZEGWGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-16(4-2,10-20)9-18-15(21)14-8-11-7-12(17)5-6-13(11)19-14/h5-8,19-20H,3-4,9-10,17H2,1-2H3,(H,18,21).
What are the key properties of 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide?
5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 106249434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).