(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol

C30H46N2O4 — CID 134317956

IUPAC(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol
SMILESCCCOCCN(C)CCCOc1cccc(-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)c1C
InChIInChI=1S/C30H46N2O4/c1-5-19-34-22-18-31(4)15-8-20-35-29-12-6-10-27(24(29)2)28-11-7-13-30(25(28)3)36-21-9-16-32-17-14-26(33)23-32/h6-7,10-13,26,33H,5,8-9,14-23H2,1-4H3/t26-/m1/s1
InChIKeyBCSQSGDSKXNKSV-AREMUKBSSA-N
MW498.71 g/mol
LogP4.93
Rot. Bonds16

About (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol

(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol (PubChem CID 134317956) has the molecular formula C30H46N2O4 and a molecular weight of 498.71 g/mol. Its IUPAC name is (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol
PubChem CID134317956
Molecular FormulaC30H46N2O4
Molecular Weight498.71 g/mol
Exact Mass498.35
IUPAC Name(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol
SMILESCCCOCCN(C)CCCOc1cccc(-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)c1C
InChIInChI=1S/C30H46N2O4/c1-5-19-34-22-18-31(4)15-8-20-35-29-12-6-10-27(24(29)2)28-11-7-13-30(25(28)3)36-21-9-16-32-17-14-26(33)23-32/h6-7,10-13,26,33H,5,8-9,14-23H2,1-4H3/t26-/m1/s1
InChIKeyBCSQSGDSKXNKSV-AREMUKBSSA-N
XLogP4.93
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.71
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[2-methyl-3-[2-methyl-3-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]pyrrolidin-3-ol
CID 134282493
(3R)-1-[3-[3-[3-[3-[3-(hydroxymethyl)piperidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]pyrrolidin-3-ol
CID 134282554
(2S)-3-hydroxy-2-[3-[3-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]propylamino]propanoic acid
CID 134282371
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
(3R)-1-[5-(3-bromo-2-methylphenoxy)pentyl]pyrrolidin-3-ol
CID 134282650
3-[[3-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]methyl]benzonitrile
CID 134282541
(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[2-(3-methylpyrazol-1-yl)ethylamino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol
CID 134282629
1-[3-[3-[3-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]pyrrolidin-3-ol
CID 134282476
1-[3-[3-(2,3-dihydro-1H-inden-4-yl)-2-methylphenoxy]propyl]piperidin-4-ol
CID 138616878
(2S,3S)-3-[3-[3-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]propoxy]-2-methylphenyl]-2-methylphenoxy]propylamino]-3-phenylpropane-1,2-diol
CID 134282523
(3R)-1-[3-[3-[3-[3-[2-(4-chloropyrazol-1-yl)ethylamino]propoxy]-2-methylphenyl]-2-methylphenoxy]propyl]pyrrolidin-3-ol
CID 134282365
2-[3-[3-[3-[3-(3-hydroxypyrrolidin-1-yl)propoxy]-2-methylphenyl]-2-methylphenoxy]propylamino]-3-pyridin-3-ylpropanoic acid
CID 134282667

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol (CID 134317956) is (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol is CCCOCCN(C)CCCOc1cccc(-c2cccc(OCCCN3CC[C@@H](O)C3)c2C)c1C.
What is the InChIKey of (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol?
The InChIKey is BCSQSGDSKXNKSV-AREMUKBSSA-N. The full InChI is InChI=1S/C30H46N2O4/c1-5-19-34-22-18-31(4)15-8-20-35-29-12-6-10-27(24(29)2)28-11-7-13-30(25(28)3)36-21-9-16-32-17-14-26(33)23-32/h6-7,10-13,26,33H,5,8-9,14-23H2,1-4H3/t26-/m1/s1.
What are the key properties of (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol?
(3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol has a molecular weight of 498.71 g/mol, XLogP of 4.93, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[2-methyl-3-[2-methyl-3-[3-[methyl(2-propoxyethyl)amino]propoxy]phenyl]phenoxy]propyl]pyrrolidin-3-ol is sourced from PubChem (CID 134317956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).