2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate

C23H33NO3 — CID 102268179

IUPAC2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)C(CC1=CCc2ccccc21)CC1CCCO1
InChIInChI=1S/C23H33NO3/c1-3-24(4-2)13-15-27-23(25)20(17-21-9-7-14-26-21)16-19-12-11-18-8-5-6-10-22(18)19/h5-6,8,10,12,20-21H,3-4,7,9,11,13-17H2,1-2H3
InChIKeyQETGRMYZRZNNKB-UHFFFAOYSA-N
MW371.52 g/mol
LogP4.09
Rot. Bonds10

About 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate

2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate (PubChem CID 102268179) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate
PubChem CID102268179
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate
SMILESCCN(CC)CCOC(=O)C(CC1=CCc2ccccc21)CC1CCCO1
InChIInChI=1S/C23H33NO3/c1-3-24(4-2)13-15-27-23(25)20(17-21-9-7-14-26-21)16-19-12-11-18-8-5-6-10-22(18)19/h5-6,8,10,12,20-21H,3-4,7,9,11,13-17H2,1-2H3
InChIKeyQETGRMYZRZNNKB-UHFFFAOYSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine;2-(diethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 174805884
ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
CID 170452725
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
dimethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium
CID 5113288
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 61434361
ethyl (2R)-4-oxo-2-[[(2S)-oxolan-2-yl]methyl]butanoate
CID 135077669
[2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethyl]hydrazine
CID 105198546
N-(2-aminophenyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65157069
diethyl-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoyl]oxyethyl]azanium;4-hydroxy-4-oxobut-2-enoate
CID 18543
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The IUPAC name of 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate (CID 102268179) is 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The canonical SMILES for 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate is CCN(CC)CCOC(=O)C(CC1=CCc2ccccc21)CC1CCCO1.
What is the InChIKey of 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
The InChIKey is QETGRMYZRZNNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-3-24(4-2)13-15-27-23(25)20(17-21-9-7-14-26-21)16-19-12-11-18-8-5-6-10-22(18)19/h5-6,8,10,12,20-21H,3-4,7,9,11,13-17H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate?
2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate has a molecular weight of 371.52 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(3H-inden-1-ylmethyl)-3-(oxolan-2-yl)propanoate is sourced from PubChem (CID 102268179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).