1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone

C18H27N3O — CID 119921401

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
SMILESCCCN(CC(=O)N1c2ccccc2CC1C)C1CCNC1
InChIInChI=1S/C18H27N3O/c1-3-10-20(16-8-9-19-12-16)13-18(22)21-14(2)11-15-6-4-5-7-17(15)21/h4-7,14,16,19H,3,8-13H2,1-2H3
InChIKeyIOQOHKXQMYZSEY-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.04
Rot. Bonds5

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone (PubChem CID 119921401) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
PubChem CID119921401
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
SMILESCCCN(CC(=O)N1c2ccccc2CC1C)C1CCNC1
InChIInChI=1S/C18H27N3O/c1-3-10-20(16-8-9-19-12-16)13-18(22)21-14(2)11-15-6-4-5-7-17(15)21/h4-7,14,16,19H,3,8-13H2,1-2H3
InChIKeyIOQOHKXQMYZSEY-UHFFFAOYSA-N
XLogP2.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 63304419
1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 119932761
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384
1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone
CID 63876527
N-ethyl-N-phenyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921389
2-[3-hydroxybutyl(methyl)amino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115665888
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
N-methyl-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]furan-2-carboxamide
CID 124613664
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119669450

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone (CID 119921401) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone is CCCN(CC(=O)N1c2ccccc2CC1C)C1CCNC1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone?
The InChIKey is IOQOHKXQMYZSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-10-20(16-8-9-19-12-16)13-18(22)21-14(2)11-15-6-4-5-7-17(15)21/h4-7,14,16,19H,3,8-13H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone has a molecular weight of 301.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone is sourced from PubChem (CID 119921401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).