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

C20H30N2O3 — CID 162881396

IUPACN-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide
SMILESCN(CCc1ccccc1)CC1OCC(NC(=O)C2CCCC2)C1O
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)
InChIKeyDSCHUJGCDVXTKH-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.60
Rot. Bonds7

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

N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide (PubChem CID 162881396) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide
PubChem CID162881396
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide
SMILESCN(CCc1ccccc1)CC1OCC(NC(=O)C2CCCC2)C1O
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)
InChIKeyDSCHUJGCDVXTKH-UHFFFAOYSA-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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Related Compounds

N-[(3S,4R,5S)-4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide
CID 125417147
N-[(3R,4R,5S)-5-(diethylaminomethyl)-4-hydroxyoxolan-3-yl]cyclopropanecarboxamide
CID 125416685
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 74578308
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide;hydrochloride
CID 146118861
N-[[(2R,3S,4R)-3-hydroxy-4-[(2-hydroxyphenyl)methylamino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536563
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 120886842
3-[[methyl(2-phenylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060387
2-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 65487102
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
1-cyclopentyl-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 103160083

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide (CID 162881396) is N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide is CN(CCc1ccccc1)CC1OCC(NC(=O)C2CCCC2)C1O.
What is the InChIKey of N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide?
The InChIKey is DSCHUJGCDVXTKH-UHFFFAOYSA-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).
What are the key properties of N-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide?
N-[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-[4-hydroxy-5-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 162881396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).