2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide

C15H19NO2 — CID 82118310

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2/c1-3-16(4-2)15(18)14(17)13-9-8-11-6-5-7-12(11)10-13/h8-10H,3-7H2,1-2H3
InChIKeyKLMMIUPBWDBNAZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.23
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide

2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide (PubChem CID 82118310) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide
PubChem CID82118310
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2/c1-3-16(4-2)15(18)14(17)13-9-8-11-6-5-7-12(11)10-13/h8-10H,3-7H2,1-2H3
InChIKeyKLMMIUPBWDBNAZ-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide
CID 54988367
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 62679922
2-(4-chlorophenyl)-N,N-diethyl-2-oxoacetamide
CID 11310994
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
2-[cyclopentyl(ethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43796359
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide (CID 82118310) is 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide?
The InChIKey is KLMMIUPBWDBNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-16(4-2)15(18)14(17)13-9-8-11-6-5-7-12(11)10-13/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide has a molecular weight of 245.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide is sourced from PubChem (CID 82118310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).