2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide

C20H22N2O2 — CID 110681975

IUPAC2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2CN(C(C)=O)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O2/c1-3-15-8-10-17(11-9-15)21-20(24)12-16-13-22(14(2)23)19-7-5-4-6-18(16)19/h4-11,16H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyDXKUFJVOCXPNOH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.73
Rot. Bonds4

About 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide

2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 110681975) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide
PubChem CID110681975
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2CN(C(C)=O)c3ccccc32)cc1
InChIInChI=1S/C20H22N2O2/c1-3-15-8-10-17(11-9-15)21-20(24)12-16-13-22(14(2)23)19-7-5-4-6-18(16)19/h4-11,16H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyDXKUFJVOCXPNOH-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide
CID 110681998
(2S)-4-acetyl-N-(4-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51640478
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-cycloheptylacetamide
CID 110681954
2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
CID 110681950
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 110681932
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
CID 71107498
3-ethyl-2,3-dihydroindole-1-carbonyl chloride
CID 45081952
N-(4-ethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109036323
N-(4-acetamidophenyl)-2-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110753843
N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857805

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide (CID 110681975) is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CC2CN(C(C)=O)c3ccccc32)cc1.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is DXKUFJVOCXPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-15-8-10-17(11-9-15)21-20(24)12-16-13-22(14(2)23)19-7-5-4-6-18(16)19/h4-11,16H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide?
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 110681975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).