2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide

C15H21N3O — CID 114456129

IUPAC2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCc2cccc(N)c21)C1CC1
InChIInChI=1S/C15H21N3O/c1-2-18(12-6-7-12)14(19)10-17-9-8-11-4-3-5-13(16)15(11)17/h3-5,12H,2,6-10,16H2,1H3
InChIKeyHORBVTSAHZMBFL-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.64
Rot. Bonds4

About 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide

2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 114456129) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID114456129
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCc2cccc(N)c21)C1CC1
InChIInChI=1S/C15H21N3O/c1-2-18(12-6-7-12)14(19)10-17-9-8-11-4-3-5-13(16)15(11)17/h3-5,12H,2,6-10,16H2,1H3
InChIKeyHORBVTSAHZMBFL-UHFFFAOYSA-N
XLogP1.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide (CID 114456129) is 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1CCc2cccc(N)c21)C1CC1.
What is the InChIKey of 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is HORBVTSAHZMBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18(12-6-7-12)14(19)10-17-9-8-11-4-3-5-13(16)15(11)17/h3-5,12H,2,6-10,16H2,1H3.
What are the key properties of 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide?
2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 259.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 114456129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).