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

C20H20N2O3 — CID 110681998

IUPAC2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CC2CN(C(C)=O)c3ccccc32)cc1
InChIInChI=1S/C20H20N2O3/c1-13(23)15-7-9-17(10-8-15)21-20(25)11-16-12-22(14(2)24)19-6-4-3-5-18(16)19/h3-10,16H,11-12H2,1-2H3,(H,21,25)
InChIKeyAAQDILZJNLYTJR-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.37
Rot. Bonds4

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

2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide (PubChem CID 110681998) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide
PubChem CID110681998
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CC2CN(C(C)=O)c3ccccc32)cc1
InChIInChI=1S/C20H20N2O3/c1-13(23)15-7-9-17(10-8-15)21-20(25)11-16-12-22(14(2)24)19-6-4-3-5-18(16)19/h3-10,16H,11-12H2,1-2H3,(H,21,25)
InChIKeyAAQDILZJNLYTJR-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide
CID 110681975
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-cycloheptylacetamide
CID 110681954
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 110681932
2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
CID 110681950
1-[3-(trimethylsilylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 122202357
2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
CID 110681914
4-acetyl-N-(4-carbamoylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 45281354
4-acetyl-N-[4-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42896036
methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793
methyl 2-[(3S)-1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52904842
1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 87624738

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide (CID 110681998) is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide is CC(=O)c1ccc(NC(=O)CC2CN(C(C)=O)c3ccccc32)cc1.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide?
The InChIKey is AAQDILZJNLYTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(23)15-7-9-17(10-8-15)21-20(25)11-16-12-22(14(2)24)19-6-4-3-5-18(16)19/h3-10,16H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide?
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide is sourced from PubChem (CID 110681998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).