N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide

C13H17N3O2 — CID 43552874

IUPACN-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H17N3O2/c1-9(17)14-6-7-16-13(18)11-2-3-12-10(8-11)4-5-15-12/h2-3,8,15H,4-7H2,1H3,(H,14,17)(H,16,18)
InChIKeyOBFISOIDENABBM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.52
Rot. Bonds4

About N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 43552874) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID43552874
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H17N3O2/c1-9(17)14-6-7-16-13(18)11-2-3-12-10(8-11)4-5-15-12/h2-3,8,15H,4-7H2,1H3,(H,14,17)(H,16,18)
InChIKeyOBFISOIDENABBM-UHFFFAOYSA-N
XLogP0.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 62641149
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325545
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
CID 106222041
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 79362938
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60976962
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 43552874) is N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide is CC(=O)NCCNC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is OBFISOIDENABBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)14-6-7-16-13(18)11-2-3-12-10(8-11)4-5-15-12/h2-3,8,15H,4-7H2,1H3,(H,14,17)(H,16,18).
What are the key properties of N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 43552874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).