N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide

C21H32N2O4 — CID 74578308

IUPACN-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCN(CCc1ccccc1)C1C(CNC(=O)C2CCCC2)OC(CO)C1O
InChIInChI=1S/C21H32N2O4/c1-23(12-11-15-7-3-2-4-8-15)19-17(27-18(14-24)20(19)25)13-22-21(26)16-9-5-6-10-16/h2-4,7-8,16-20,24-25H,5-6,9-14H2,1H3,(H,22,26)
InChIKeyGTXPYSRKMGBSFM-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.96
Rot. Bonds8

About N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 74578308) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID74578308
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCN(CCc1ccccc1)C1C(CNC(=O)C2CCCC2)OC(CO)C1O
InChIInChI=1S/C21H32N2O4/c1-23(12-11-15-7-3-2-4-8-15)19-17(27-18(14-24)20(19)25)13-22-21(26)16-9-5-6-10-16/h2-4,7-8,16-20,24-25H,5-6,9-14H2,1H3,(H,22,26)
InChIKeyGTXPYSRKMGBSFM-UHFFFAOYSA-N
XLogP0.96
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide (CID 74578308) is N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide is CN(CCc1ccccc1)C1C(CNC(=O)C2CCCC2)OC(CO)C1O.
What is the InChIKey of N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is GTXPYSRKMGBSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-23(12-11-15-7-3-2-4-8-15)19-17(27-18(14-24)20(19)25)13-22-21(26)16-9-5-6-10-16/h2-4,7-8,16-20,24-25H,5-6,9-14H2,1H3,(H,22,26).
What are the key properties of N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 376.50 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 74578308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).