5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide

C16H23N3O2 — CID 63118430

IUPAC5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
SMILESCC(C)CCOCCNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-11(2)5-7-21-8-6-18-16(20)15-10-12-9-13(17)3-4-14(12)19-15/h3-4,9-11,19H,5-8,17H2,1-2H3,(H,18,20)
InChIKeyLXPSCJUSVFUQBE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.54
Rot. Bonds7

About 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide

5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide (PubChem CID 63118430) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
PubChem CID63118430
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
SMILESCC(C)CCOCCNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-11(2)5-7-21-8-6-18-16(20)15-10-12-9-13(17)3-4-14(12)19-15/h3-4,9-11,19H,5-8,17H2,1-2H3,(H,18,20)
InChIKeyLXPSCJUSVFUQBE-UHFFFAOYSA-N
XLogP2.54
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 55041484
5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
CID 106249434
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
CID 39983958
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
5-amino-N-propan-2-yl-1H-indole-2-carboxamide;N,N-dimethyl-2-propan-2-yloxyethanamine
CID 163474124
2-propoxyethyl 5-amino-1H-indole-2-carboxylate
CID 107363371

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide (CID 63118430) is 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide is CC(C)CCOCCNC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide?
The InChIKey is LXPSCJUSVFUQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)5-7-21-8-6-18-16(20)15-10-12-9-13(17)3-4-14(12)19-15/h3-4,9-11,19H,5-8,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide?
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63118430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).