(2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide

C17H26FN3O — CID 86596746

IUPAC(2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)C[C@H](N)C(=O)NCCN1CCc2cc(F)ccc21
InChIInChI=1S/C17H26FN3O/c1-17(2,3)11-14(19)16(22)20-7-9-21-8-6-12-10-13(18)4-5-15(12)21/h4-5,10,14H,6-9,11,19H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyCHCPPBNJHIBXKD-AWEZNQCLSA-N
MW307.41 g/mol
LogP2.07
Rot. Bonds5

About (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide

(2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide (PubChem CID 86596746) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide
PubChem CID86596746
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name(2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)C[C@H](N)C(=O)NCCN1CCc2cc(F)ccc21
InChIInChI=1S/C17H26FN3O/c1-17(2,3)11-14(19)16(22)20-7-9-21-8-6-12-10-13(18)4-5-15(12)21/h4-5,10,14H,6-9,11,19H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyCHCPPBNJHIBXKD-AWEZNQCLSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide (CID 86596746) is (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide is CC(C)(C)C[C@H](N)C(=O)NCCN1CCc2cc(F)ccc21.
What is the InChIKey of (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide?
The InChIKey is CHCPPBNJHIBXKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-17(2,3)11-14(19)16(22)20-7-9-21-8-6-12-10-13(18)4-5-15(12)21/h4-5,10,14H,6-9,11,19H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide?
(2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide has a molecular weight of 307.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 86596746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).