3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one

C19H29NO3 — CID 95300829

IUPAC3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
SMILESCC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCOCCOC
InChIInChI=1S/C19H29NO3/c1-3-17(16-8-5-4-6-9-16)18-10-7-12-20(18)19(21)11-13-23-15-14-22-2/h4-6,8-9,17-18H,3,7,10-15H2,1-2H3/t17-,18+/m0/s1
InChIKeyDXMSZSVQBGTWTD-ZWKOTPCHSA-N
MW319.45 g/mol
LogP3.22
Rot. Bonds9

About 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one

3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95300829) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
PubChem CID95300829
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
SMILESCC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCOCCOC
InChIInChI=1S/C19H29NO3/c1-3-17(16-8-5-4-6-9-16)18-10-7-12-20(18)19(21)11-13-23-15-14-22-2/h4-6,8-9,17-18H,3,7,10-15H2,1-2H3/t17-,18+/m0/s1
InChIKeyDXMSZSVQBGTWTD-ZWKOTPCHSA-N
XLogP3.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
CID 95592185
4-amino-3-methoxy-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]butan-1-one
CID 120590724
N-[4-oxo-4-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]butyl]benzamide
CID 95592208
2-methoxy-N-[3-oxo-3-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]propyl]benzamide
CID 95592178
3-(3,4-difluorophenyl)-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]propan-1-one
CID 56800411
4-ethoxy-N-[2-oxo-2-[2-(1-phenylpropyl)pyrrolidin-1-yl]ethyl]benzamide
CID 56800435
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 94838289
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 124832355
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
1-[2-(1-phenylpropyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119757653
2-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 124832356
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one (CID 95300829) is 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one is CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is DXMSZSVQBGTWTD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-17(16-8-5-4-6-9-16)18-10-7-12-20(18)19(21)11-13-23-15-14-22-2/h4-6,8-9,17-18H,3,7,10-15H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one?
3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 319.45 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95300829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).