(2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

C29H37NO2 — CID 46891465

IUPAC(2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C1CCCC1
InChIInChI=1S/C29H37NO2/c1-29(2,19-22-16-17-23-10-6-9-15-26(23)18-22)30-20-27(31)21-32-28(25-13-7-8-14-25)24-11-4-3-5-12-24/h3-6,9-12,15-18,25,27-28,30-31H,7-8,13-14,19-21H2,1-2H3/t27-,28?/m1/s1
InChIKeyUOGMGOVUGLOIKR-QXPUDEPPSA-N
MW431.62 g/mol
LogP6.06
Rot. Bonds10

About (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol

(2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (PubChem CID 46891465) has the molecular formula C29H37NO2 and a molecular weight of 431.62 g/mol. Its IUPAC name is (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
PubChem CID46891465
Molecular FormulaC29H37NO2
Molecular Weight431.62 g/mol
Exact Mass431.28
IUPAC Name(2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol
SMILESCC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C1CCCC1
InChIInChI=1S/C29H37NO2/c1-29(2,19-22-16-17-23-10-6-9-15-26(23)18-22)30-20-27(31)21-32-28(25-13-7-8-14-25)24-11-4-3-5-12-24/h3-6,9-12,15-18,25,27-28,30-31H,7-8,13-14,19-21H2,1-2H3/t27-,28?/m1/s1
InChIKeyUOGMGOVUGLOIKR-QXPUDEPPSA-N
XLogP6.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol (CID 46891465) is (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C1CCCC1.
What is the InChIKey of (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
The InChIKey is UOGMGOVUGLOIKR-QXPUDEPPSA-N. The full InChI is InChI=1S/C29H37NO2/c1-29(2,19-22-16-17-23-10-6-9-15-26(23)18-22)30-20-27(31)21-32-28(25-13-7-8-14-25)24-11-4-3-5-12-24/h3-6,9-12,15-18,25,27-28,30-31H,7-8,13-14,19-21H2,1-2H3/t27-,28?/m1/s1.
What are the key properties of (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol?
(2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol has a molecular weight of 431.62 g/mol, XLogP of 6.06, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclopentyl(phenyl)methoxy]-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 46891465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).