N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

C14H17N3O3 — CID 108531260

IUPACN-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC(=O)N(CCN)C(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H17N3O3/c1-10(18)16(9-7-15)13(19)14(20)17-8-6-11-4-2-3-5-12(11)17/h2-5H,6-9,15H2,1H3
InChIKeyDJCHJVCJYINZHS-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.09
Rot. Bonds2

About N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide

N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (PubChem CID 108531260) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
PubChem CID108531260
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
SMILESCC(=O)N(CCN)C(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C14H17N3O3/c1-10(18)16(9-7-15)13(19)14(20)17-8-6-11-4-2-3-5-12(11)17/h2-5H,6-9,15H2,1H3
InChIKeyDJCHJVCJYINZHS-UHFFFAOYSA-N
XLogP-0.09
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide
CID 108526757
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
2-(2,3-dihydroindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108525186
2-(2,3-dihydroindol-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108521001
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113122513
S-ethyl 2,3-dihydroindole-1-carbothioate
CID 46914254
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108525488
N-acetyl-N-(3-aminophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505664
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The IUPAC name of N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide (CID 108531260) is N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The canonical SMILES for N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is CC(=O)N(CCN)C(=O)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
The InChIKey is DJCHJVCJYINZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(18)16(9-7-15)13(19)14(20)17-8-6-11-4-2-3-5-12(11)17/h2-5H,6-9,15H2,1H3.
What are the key properties of N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide?
N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide has a molecular weight of 275.31 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-aminoethyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108531260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).