2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide

C16H22N2O2 — CID 110681950

IUPAC2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1CN(C(C)=O)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)10-13-11-18(12(3)19)15-9-7-6-8-14(13)15/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyRCHZVXLHKVXQOM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.40
Rot. Bonds4

About 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide

2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide (PubChem CID 110681950) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
PubChem CID110681950
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CC1CN(C(C)=O)c2ccccc21
InChIInChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)10-13-11-18(12(3)19)15-9-7-6-8-14(13)15/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyRCHZVXLHKVXQOM-UHFFFAOYSA-N
XLogP2.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
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
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-ethylphenyl)acetamide
CID 110681975
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-cycloheptylacetamide
CID 110681954
N,N-diethyl-2-[(2R,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 134997715
N,N-diethyl-2-[(2S,4R)-1-methyl-2-phenyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 134997714
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(3-phenylpropyl)acetamide
CID 110681951
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-(4-acetylphenyl)acetamide
CID 110681998
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 110681932
1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 87624738
1-(3-ethyl-2,3-dihydroindol-1-yl)-3-methylbut-3-en-1-one
CID 142120927

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide (CID 110681950) is 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CC1CN(C(C)=O)c2ccccc21.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide?
The InChIKey is RCHZVXLHKVXQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-17(5-2)16(20)10-13-11-18(12(3)19)15-9-7-6-8-14(13)15/h6-9,13H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide?
2-(1-acetyl-2,3-dihydroindol-3-yl)-N,N-diethylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 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,N-diethylacetamide is sourced from PubChem (CID 110681950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).