1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide

C15H21N3O2 — CID 53299064

IUPAC1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2CC1C(=O)NCCN(C)C
InChIInChI=1S/C15H21N3O2/c1-11(19)18-13-7-5-4-6-12(13)10-14(18)15(20)16-8-9-17(2)3/h4-7,14H,8-10H2,1-3H3,(H,16,20)
InChIKeyQGKWQDKPMUYMLH-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.64
Rot. Bonds4

About 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide

1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 53299064) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
PubChem CID53299064
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2CC1C(=O)NCCN(C)C
InChIInChI=1S/C15H21N3O2/c1-11(19)18-13-7-5-4-6-12(13)10-14(18)15(20)16-8-9-17(2)3/h4-7,14H,8-10H2,1-3H3,(H,16,20)
InChIKeyQGKWQDKPMUYMLH-UHFFFAOYSA-N
XLogP0.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954431
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954540
(2S)-1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 92765074
(2S)-1-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710265
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108960333

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide (CID 53299064) is 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2CC1C(=O)NCCN(C)C.
What is the InChIKey of 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is QGKWQDKPMUYMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(19)18-13-7-5-4-6-12(13)10-14(18)15(20)16-8-9-17(2)3/h4-7,14H,8-10H2,1-3H3,(H,16,20).
What are the key properties of 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 53299064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).