2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one

C17H21N3O — CID 58433119

IUPAC2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(C)N)C1
InChIInChI=1S/C17H21N3O/c1-3-12-8-14(19-10-12)16-9-13-6-4-5-7-15(13)20(16)17(21)11(2)18/h4-7,10-11,16H,3,8-9,18H2,1-2H3
InChIKeyWGTMZTSITLJTJT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one

2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 58433119) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID58433119
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(C)N)C1
InChIInChI=1S/C17H21N3O/c1-3-12-8-14(19-10-12)16-9-13-6-4-5-7-15(13)20(16)17(21)11(2)18/h4-7,10-11,16H,3,8-9,18H2,1-2H3
InChIKeyWGTMZTSITLJTJT-UHFFFAOYSA-N
XLogP2.43
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-2-(4-iminoquinolin-1-yl)acetamide;hydrochloride
CID 45488952
Butabindide
CID 9817923
(2S)-aminobutyryl-(2S)-indoline carboxylic acid ethylamide
CID 11572637
(2S)-aminobutyryl-(2S)-indoline carboxylic acid propylamide
CID 11580133
(2S)-aminobutyryl-(2S)-indoline carboxylic acid methylamide
CID 11680498
1-(6-methyl-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471946
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71471950
1-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 5296277
1-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-(piperidin-1-yl)ethan-1-onato
CID 43095
alpha-Methyl-N-(2-methylphenyl)-1-pyrrolidineacetamide
CID 71695
2-(4-iminoquinolin-1(4H)-yl)-N,N-dipropylacetamide
CID 6602912
N-(sec-butyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
CID 15992383

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one (CID 58433119) is 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one is CCC1=CN=C(C2Cc3ccccc3N2C(=O)C(C)N)C1.
What is the InChIKey of 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is WGTMZTSITLJTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-12-8-14(19-10-12)16-9-13-6-4-5-7-15(13)20(16)17(21)11(2)18/h4-7,10-11,16H,3,8-9,18H2,1-2H3.
What are the key properties of 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one?
2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 283.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-ethyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 58433119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).