1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one

C25H32N2O4 — CID 51497174

IUPAC1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(CN(Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c(OC)c1
InChIInChI=1S/C25H32N2O4/c1-29-22-12-9-20(24(15-22)30-2)17-26(18-23-5-4-14-31-23)16-19-7-10-21(11-8-19)27-13-3-6-25(27)28/h7-12,15,23H,3-6,13-14,16-18H2,1-2H3/t23-/m0/s1
InChIKeyAUGWHMRFALREIY-QHCPKHFHSA-N
MW424.54 g/mol
LogP4.01
Rot. Bonds9

About 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 51497174) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID51497174
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(CN(Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c(OC)c1
InChIInChI=1S/C25H32N2O4/c1-29-22-12-9-20(24(15-22)30-2)17-26(18-23-5-4-14-31-23)16-19-7-10-21(11-8-19)27-13-3-6-25(27)28/h7-12,15,23H,3-6,13-14,16-18H2,1-2H3/t23-/m0/s1
InChIKeyAUGWHMRFALREIY-QHCPKHFHSA-N
XLogP4.01
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;1-[4-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 171670363
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
1-(1-cyclopentylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25452111
N-[(2,4-dimethoxyphenyl)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497130
N-[(2,5-dimethoxyphenyl)methyl]-N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43818695
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46962832
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962825
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171672130
N-[(2,5-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497332
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818718

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one (CID 51497174) is 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one is COc1ccc(CN(Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c(OC)c1.
What is the InChIKey of 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is AUGWHMRFALREIY-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-29-22-12-9-20(24(15-22)30-2)17-26(18-23-5-4-14-31-23)16-19-7-10-21(11-8-19)27-13-3-6-25(27)28/h7-12,15,23H,3-6,13-14,16-18H2,1-2H3/t23-/m0/s1.
What are the key properties of 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 424.54 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 51497174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).