2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one

C20H27N3O — CID 58433064

IUPAC2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(N)C(C)C)C1
InChIInChI=1S/C20H27N3O/c1-4-7-14-10-16(22-12-14)18-11-15-8-5-6-9-17(15)23(18)20(24)19(21)13(2)3/h5-6,8-9,12-13,18-19H,4,7,10-11,21H2,1-3H3
InChIKeyPFFULMQMXWKPSJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.46
Rot. Bonds5

About 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one

2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one (PubChem CID 58433064) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one
PubChem CID58433064
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one
SMILESCCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(N)C(C)C)C1
InChIInChI=1S/C20H27N3O/c1-4-7-14-10-16(22-12-14)18-11-15-8-5-6-9-17(15)23(18)20(24)19(21)13(2)3/h5-6,8-9,12-13,18-19H,4,7,10-11,21H2,1-3H3
InChIKeyPFFULMQMXWKPSJ-UHFFFAOYSA-N
XLogP3.46
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[(3R)-3-methylpiperazin-1-yl]-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone
CID 71471953
1-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 5296277
N-[1-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
CID 2956948
1-(3-cyclopentylpropanoyl)-N-ethylindoline-2-carboxamide
CID 18587997
(S)-1-(3-Amino-pentanoyl)-2,3-dihydro-1H-indole-2-carboxylic acid butylamide
CID 44303372
2-(2-Methyl-2,3-dihydroindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 108993439
3-(2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide;hydrochloride
CID 130248616
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
CID 393459

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one (CID 58433064) is 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one is CCCC1=CN=C(C2Cc3ccccc3N2C(=O)C(N)C(C)C)C1.
What is the InChIKey of 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one?
The InChIKey is PFFULMQMXWKPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-7-14-10-16(22-12-14)18-11-15-8-5-6-9-17(15)23(18)20(24)19(21)13(2)3/h5-6,8-9,12-13,18-19H,4,7,10-11,21H2,1-3H3.
What are the key properties of 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one?
2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one has a molecular weight of 325.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[2-(4-propyl-3H-pyrrol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one is sourced from PubChem (CID 58433064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).