1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol

C24H34N2O2 — CID 3082677

IUPAC1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C24H34N2O2/c1-24(2,27)20-28-19-23(25-15-9-10-16-25)18-26(22-13-7-4-8-14-22)17-21-11-5-3-6-12-21/h3-8,11-14,23,27H,9-10,15-20H2,1-2H3
InChIKeyUWWCLOVYDVNHHW-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.95
Rot. Bonds10

About 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol

1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol (PubChem CID 3082677) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol
PubChem CID3082677
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol
SMILESCC(C)(O)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C24H34N2O2/c1-24(2,27)20-28-19-23(25-15-9-10-16-25)18-26(22-13-7-4-8-14-22)17-21-11-5-3-6-12-21/h3-8,11-14,23,27H,9-10,15-20H2,1-2H3
InChIKeyUWWCLOVYDVNHHW-UHFFFAOYSA-N
XLogP3.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol (CID 3082677) is 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol is CC(C)(O)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.
What is the InChIKey of 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol?
The InChIKey is UWWCLOVYDVNHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-24(2,27)20-28-19-23(25-15-9-10-16-25)18-26(22-13-7-4-8-14-22)17-21-11-5-3-6-12-21/h3-8,11-14,23,27H,9-10,15-20H2,1-2H3.
What are the key properties of 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol?
1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol has a molecular weight of 382.55 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-benzylanilino)-2-pyrrolidin-1-ylpropoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 3082677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).