N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide

C16H25N3O — CID 102661757

IUPACN-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
SMILESCCNC(=O)CN1CCc2cc(C(C)NCC)ccc21
InChIInChI=1S/C16H25N3O/c1-4-17-12(3)13-6-7-15-14(10-13)8-9-19(15)11-16(20)18-5-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyUNRPRRNMUPXHKU-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.86
Rot. Bonds6

About N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide

N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide (PubChem CID 102661757) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
PubChem CID102661757
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
SMILESCCNC(=O)CN1CCc2cc(C(C)NCC)ccc21
InChIInChI=1S/C16H25N3O/c1-4-17-12(3)13-6-7-15-14(10-13)8-9-19(15)11-16(20)18-5-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,18,20)
InChIKeyUNRPRRNMUPXHKU-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751
N-ethyl-1-[1-(3-fluoropropyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661804
2-[5-(1-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)acetamide
CID 102661516
N-ethyl-1-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661787
4-[6-[1-(ethylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
CID 102662106
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]-2,3-dihydroindol-5-yl]ethanamine
CID 106449089
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661662
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102662677
5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
CID 102661847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide (CID 102661757) is N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide is CCNC(=O)CN1CCc2cc(C(C)NCC)ccc21.
What is the InChIKey of N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is UNRPRRNMUPXHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-17-12(3)13-6-7-15-14(10-13)8-9-19(15)11-16(20)18-5-2/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 102661757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).