N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide

C13H16N2O2 — CID 47413298

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O2/c1-2-12(16)14-9-13(17)15-8-7-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,14,16)
InChIKeySRFSMNOQOVAIQF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.10
Rot. Bonds3

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide (PubChem CID 47413298) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
PubChem CID47413298
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H16N2O2/c1-2-12(16)14-9-13(17)15-8-7-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,14,16)
InChIKeySRFSMNOQOVAIQF-UHFFFAOYSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
CID 110606116
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-3-phenylpentanamide
CID 110619444
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
CID 119769035
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110606137
2-(3-bromophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 112996350
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619443
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002184

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide (CID 47413298) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide?
The InChIKey is SRFSMNOQOVAIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-12(16)14-9-13(17)15-8-7-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide has a molecular weight of 232.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide is sourced from PubChem (CID 47413298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).