N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide

C15H23N3O — CID 102661662

IUPACN,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
SMILESCNC(C)c1ccc2c(c1)CCN2CC(=O)N(C)C
InChIInChI=1S/C15H23N3O/c1-11(16-2)12-5-6-14-13(9-12)7-8-18(14)10-15(19)17(3)4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyWCDUHLABKITGRL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.42
Rot. Bonds4

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

N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide (PubChem CID 102661662) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
PubChem CID102661662
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
SMILESCNC(C)c1ccc2c(c1)CCN2CC(=O)N(C)C
InChIInChI=1S/C15H23N3O/c1-11(16-2)12-5-6-14-13(9-12)7-8-18(14)10-15(19)17(3)4/h5-6,9,11,16H,7-8,10H2,1-4H3
InChIKeyWCDUHLABKITGRL-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
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-cyclopropyl-N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661728
N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661621
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646
N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661702
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661638
N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661757
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661692
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040766
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102880182

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide (CID 102661662) is N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide is CNC(C)c1ccc2c(c1)CCN2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is WCDUHLABKITGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(16-2)12-5-6-14-13(9-12)7-8-18(14)10-15(19)17(3)4/h5-6,9,11,16H,7-8,10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide?
N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 102661662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).