3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide

C17H27N3O — CID 102661646

IUPAC3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
SMILESCNC(C)c1ccc2c(c1)CCN2CCC(=O)NC(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)19-17(21)8-10-20-9-7-15-11-14(13(3)18-4)5-6-16(15)20/h5-6,11-13,18H,7-10H2,1-4H3,(H,19,21)
InChIKeyQBXQEFZTLSIJMU-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.24
Rot. Bonds6

About 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide

3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 102661646) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
PubChem CID102661646
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
SMILESCNC(C)c1ccc2c(c1)CCN2CCC(=O)NC(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)19-17(21)8-10-20-9-7-15-11-14(13(3)18-4)5-6-16(15)20/h5-6,11-13,18H,7-10H2,1-4H3,(H,19,21)
InChIKeyQBXQEFZTLSIJMU-UHFFFAOYSA-N
XLogP2.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661662
N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661997
1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661621
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661638
N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661702
N-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661728
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662022
1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662004
N-methyl-1-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661667

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide (CID 102661646) is 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide is CNC(C)c1ccc2c(c1)CCN2CCC(=O)NC(C)C.
What is the InChIKey of 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is QBXQEFZTLSIJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)19-17(21)8-10-20-9-7-15-11-14(13(3)18-4)5-6-16(15)20/h5-6,11-13,18H,7-10H2,1-4H3,(H,19,21).
What are the key properties of 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide?
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 102661646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).