2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide

C13H17N3O2 — CID 114989561

IUPAC2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide
SMILESCCc1ccc2c(c1)C(NC(C)C(N)=O)C(=O)N2
InChIInChI=1S/C13H17N3O2/c1-3-8-4-5-10-9(6-8)11(13(18)16-10)15-7(2)12(14)17/h4-7,11,15H,3H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyQHOWMGJTLAKAHI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.71
Rot. Bonds4

About 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide

2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide (PubChem CID 114989561) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide
PubChem CID114989561
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide
SMILESCCc1ccc2c(c1)C(NC(C)C(N)=O)C(=O)N2
InChIInChI=1S/C13H17N3O2/c1-3-8-4-5-10-9(6-8)11(13(18)16-10)15-7(2)12(14)17/h4-7,11,15H,3H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyQHOWMGJTLAKAHI-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 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 ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 114993679
5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990098
N-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3155458
5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 114999748
3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 82238898
3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 114993784
2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)-2-fluoroacetic acid
CID 81358824
methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate
CID 43688975
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one
CID 43533291
3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196077
N-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 9178373

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide?
The IUPAC name of 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide (CID 114989561) is 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide?
The canonical SMILES for 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide is CCc1ccc2c(c1)C(NC(C)C(N)=O)C(=O)N2.
What is the InChIKey of 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide?
The InChIKey is QHOWMGJTLAKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-8-4-5-10-9(6-8)11(13(18)16-10)15-7(2)12(14)17/h4-7,11,15H,3H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide?
2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide is sourced from PubChem (CID 114989561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).