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

C20H22N2O2 — CID 20954431

IUPAC1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2CC1C(=O)NCCc1ccccc1C
InChIInChI=1S/C20H22N2O2/c1-14-7-3-4-8-16(14)11-12-21-20(24)19-13-17-9-5-6-10-18(17)22(19)15(2)23/h3-10,19H,11-13H2,1-2H3,(H,21,24)
InChIKeyYOLYWJMNJVZYFH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.63
Rot. Bonds4

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

1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 20954431) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
PubChem CID20954431
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2CC1C(=O)NCCc1ccccc1C
InChIInChI=1S/C20H22N2O2/c1-14-7-3-4-8-16(14)11-12-21-20(24)19-13-17-9-5-6-10-18(17)22(19)15(2)23/h3-10,19H,11-13H2,1-2H3,(H,21,24)
InChIKeyYOLYWJMNJVZYFH-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
(2S)-1-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710265
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
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
(2S)-1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 92765074
(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 138995578
(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 155952931
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
4-hydroxy-N-[2-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529250
1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956683

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide (CID 20954431) is 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2CC1C(=O)NCCc1ccccc1C.
What is the InChIKey of 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is YOLYWJMNJVZYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-7-3-4-8-16(14)11-12-21-20(24)19-13-17-9-5-6-10-18(17)22(19)15(2)23/h3-10,19H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).