(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide

C21H34N2O2 — CID 98728361

IUPAC(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESCCN(C(=O)[C@H](C)OCC(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C21H34N2O2/c1-6-23(21(24)18(5)25-15-16(2)3)20-12-13-22(14-20)17(4)19-10-8-7-9-11-19/h7-11,16-18,20H,6,12-15H2,1-5H3/t17-,18+,20-/m1/s1
InChIKeyLZVFHDBCMJLOFT-WSTZPKSXSA-N
MW346.52 g/mol
LogP3.73
Rot. Bonds8

About (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide

(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide (PubChem CID 98728361) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
PubChem CID98728361
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
SMILESCCN(C(=O)[C@H](C)OCC(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C21H34N2O2/c1-6-23(21(24)18(5)25-15-16(2)3)20-12-13-22(14-20)17(4)19-10-8-7-9-11-19/h7-11,16-18,20H,6,12-15H2,1-5H3/t17-,18+,20-/m1/s1
InChIKeyLZVFHDBCMJLOFT-WSTZPKSXSA-N
XLogP3.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
4-bromo-N-ethyl-3,5-dimethoxy-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 98691639
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765
N-ethyl-3-methyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 94811047
N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 98773798
N-[4-[[ethyl-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 96537032
N-ethyl-3-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 75507595
N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52525533
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide
CID 98728365
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide
CID 98755640

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide (CID 98728361) is (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide is CCN(C(=O)[C@H](C)OCC(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1.
What is the InChIKey of (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
The InChIKey is LZVFHDBCMJLOFT-WSTZPKSXSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-6-23(21(24)18(5)25-15-16(2)3)20-12-13-22(14-20)17(4)19-10-8-7-9-11-19/h7-11,16-18,20H,6,12-15H2,1-5H3/t17-,18+,20-/m1/s1.
What are the key properties of (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide?
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide has a molecular weight of 346.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 98728361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).