2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone

C20H30N2O3 — CID 97238303

IUPAC2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCC[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C20H30N2O3/c1-3-17(21-18-10-13-24-15(18)2)16-8-4-5-9-19(16)25-14-20(23)22-11-6-7-12-22/h4-5,8-9,15,17-18,21H,3,6-7,10-14H2,1-2H3/t15-,17+,18+/m1/s1
InChIKeyKKYHLOYCDSPMCL-NJAFHUGGSA-N
MW346.47 g/mol
LogP2.91
Rot. Bonds7

About 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 97238303) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID97238303
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCC[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C20H30N2O3/c1-3-17(21-18-10-13-24-15(18)2)16-8-4-5-9-19(16)25-14-20(23)22-11-6-7-12-22/h4-5,8-9,15,17-18,21H,3,6-7,10-14H2,1-2H3/t15-,17+,18+/m1/s1
InChIKeyKKYHLOYCDSPMCL-NJAFHUGGSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-(oxolan-2-yl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 51121409
2-methoxy-N-[(1S)-1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 94620134
2-(2-methylphenoxy)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]acetamide
CID 55901922
(2S,5R)-5-(aminomethyl)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]oxolane-2-carboxamide
CID 120787234
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
CID 55958604
2-amino-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pentanamide;hydrochloride
CID 119288275
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
3,4-dichloro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 60534577
3-(cyclopropanecarbonylamino)-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]benzamide
CID 55902299
N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine
CID 112639555
3-(4-fluorophenyl)sulfanyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
CID 55902042

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 97238303) is 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone is CC[C@H](N[C@H]1CCO[C@@H]1C)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is KKYHLOYCDSPMCL-NJAFHUGGSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-17(21-18-10-13-24-15(18)2)16-8-4-5-9-19(16)25-14-20(23)22-11-6-7-12-22/h4-5,8-9,15,17-18,21H,3,6-7,10-14H2,1-2H3/t15-,17+,18+/m1/s1.
What are the key properties of 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 346.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-[[(2R,3S)-2-methyloxolan-3-yl]amino]propyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97238303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).