N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide

C24H30N2O2 — CID 58393694

IUPACN,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
SMILESCCN(CC)C(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1
InChIInChI=1S/C24H30N2O2/c1-3-25(4-2)24(27)18-11-13-20(14-12-18)28-23-21-10-6-5-9-19(21)17-22(23)26-15-7-8-16-26/h5-6,9-14,22-23H,3-4,7-8,15-17H2,1-2H3/t22-,23-/m0/s1
InChIKeyVSUPPOMWMPCVNY-GOTSBHOMSA-N
MW378.52 g/mol
LogP4.31
Rot. Bonds6

About N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide

N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide (PubChem CID 58393694) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
PubChem CID58393694
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
SMILESCCN(CC)C(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1
InChIInChI=1S/C24H30N2O2/c1-3-25(4-2)24(27)18-11-13-20(14-12-18)28-23-21-10-6-5-9-19(21)17-22(23)26-15-7-8-16-26/h5-6,9-14,22-23H,3-4,7-8,15-17H2,1-2H3/t22-,23-/m0/s1
InChIKeyVSUPPOMWMPCVNY-GOTSBHOMSA-N
XLogP4.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide?
The IUPAC name of N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide (CID 58393694) is N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide?
The canonical SMILES for N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide is CCN(CC)C(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide?
The InChIKey is VSUPPOMWMPCVNY-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-25(4-2)24(27)18-11-13-20(14-12-18)28-23-21-10-6-5-9-19(21)17-22(23)26-15-7-8-16-26/h5-6,9-14,22-23H,3-4,7-8,15-17H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide?
N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide is sourced from PubChem (CID 58393694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).