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

C20H30N2O3 — CID 125417147

IUPACN-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide
SMILESCN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O
InChIInChI=1S/C20H30N2O3/c1-22(12-11-15-7-3-2-4-8-15)13-18-19(23)17(14-25-18)21-20(24)16-9-5-6-10-16/h2-4,7-8,16-19,23H,5-6,9-14H2,1H3,(H,21,24)/t17-,18-,19+/m0/s1
InChIKeyDSCHUJGCDVXTKH-GBESFXJTSA-N
MW346.47 g/mol
LogP1.60
Rot. Bonds7

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

N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide (PubChem CID 125417147) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide
PubChem CID125417147
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide
SMILESCN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O
InChIInChI=1S/C20H30N2O3/c1-22(12-11-15-7-3-2-4-8-15)13-18-19(23)17(14-25-18)21-20(24)16-9-5-6-10-16/h2-4,7-8,16-19,23H,5-6,9-14H2,1H3,(H,21,24)/t17-,18-,19+/m0/s1
InChIKeyDSCHUJGCDVXTKH-GBESFXJTSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide (CID 125417147) is N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide is CN(CCc1ccccc1)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O.
What is the InChIKey of N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide?
The InChIKey is DSCHUJGCDVXTKH-GBESFXJTSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-22(12-11-15-7-3-2-4-8-15)13-18-19(23)17(14-25-18)21-20(24)16-9-5-6-10-16/h2-4,7-8,16-19,23H,5-6,9-14H2,1H3,(H,21,24)/t17-,18-,19+/m0/s1.
What are the key properties of N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide?
N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 125417147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).