N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

C21H24N2O2 — CID 134136642

IUPACN-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C21H24N2O2/c1-15(24)22-17-8-6-9-18(14-17)25-21-19-10-3-2-7-16(19)13-20(21)23-11-4-5-12-23/h2-3,6-10,14,20-21H,4-5,11-13H2,1H3,(H,22,24)/t20-,21-/m0/s1
InChIKeyUBOGPGCPMSEBJS-SFTDATJTSA-N
MW336.44 g/mol
LogP3.79
Rot. Bonds4

About N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (PubChem CID 134136642) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
PubChem CID134136642
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1
InChIInChI=1S/C21H24N2O2/c1-15(24)22-17-8-6-9-18(14-17)25-21-19-10-3-2-7-16(19)13-20(21)23-11-4-5-12-23/h2-3,6-10,14,20-21H,4-5,11-13H2,1H3,(H,22,24)/t20-,21-/m0/s1
InChIKeyUBOGPGCPMSEBJS-SFTDATJTSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (CID 134136642) is N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)c1.
What is the InChIKey of N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The InChIKey is UBOGPGCPMSEBJS-SFTDATJTSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(24)22-17-8-6-9-18(14-17)25-21-19-10-3-2-7-16(19)13-20(21)23-11-4-5-12-23/h2-3,6-10,14,20-21H,4-5,11-13H2,1H3,(H,22,24)/t20-,21-/m0/s1.
What are the key properties of N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 134136642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).