N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide

C15H22N2O2 — CID 22571116

IUPACN,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide
SMILESCCN(CC)C(=O)CCc1c[nH]c2c1C(=O)CCC2
InChIInChI=1S/C15H22N2O2/c1-3-17(4-2)14(19)9-8-11-10-16-12-6-5-7-13(18)15(11)12/h10,16H,3-9H2,1-2H3
InChIKeyONGJIUTYNDTROX-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.33
Rot. Bonds5

About N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide

N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide (PubChem CID 22571116) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide
PubChem CID22571116
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide
SMILESCCN(CC)C(=O)CCc1c[nH]c2c1C(=O)CCC2
InChIInChI=1S/C15H22N2O2/c1-3-17(4-2)14(19)9-8-11-10-16-12-6-5-7-13(18)15(11)12/h10,16H,3-9H2,1-2H3
InChIKeyONGJIUTYNDTROX-UHFFFAOYSA-N
XLogP2.33
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide?
The IUPAC name of N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide (CID 22571116) is N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide.
What is the SMILES notation for N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide?
The canonical SMILES for N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide is CCN(CC)C(=O)CCc1c[nH]c2c1C(=O)CCC2.
What is the InChIKey of N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide?
The InChIKey is ONGJIUTYNDTROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-17(4-2)14(19)9-8-11-10-16-12-6-5-7-13(18)15(11)12/h10,16H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide?
N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanamide is sourced from PubChem (CID 22571116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).