[(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone

C19H28N2O3 — CID 96561473

IUPAC[(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
SMILESCN1CCO[C@@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)C1
InChIInChI=1S/C19H28N2O3/c1-20-11-13-24-18(15-20)19(22)21-10-9-17(14-21)23-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3/t17-,18+/m0/s1
InChIKeyQAGZDAVAYIUMSQ-ZWKOTPCHSA-N
MW332.44 g/mol
LogP1.57
Rot. Bonds6

About [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone

[(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone (PubChem CID 96561473) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
PubChem CID96561473
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
SMILESCN1CCO[C@@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)C1
InChIInChI=1S/C19H28N2O3/c1-20-11-13-24-18(15-20)19(22)21-10-9-17(14-21)23-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3/t17-,18+/m0/s1
InChIKeyQAGZDAVAYIUMSQ-ZWKOTPCHSA-N
XLogP1.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
furan-3-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71976252
(3S)-3-(3-phenylpropoxy)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 96560292
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341886
(1-aminocyclopropyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815537
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905
4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
CID 119152144
(1-methoxycyclopentyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 166225739

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone (CID 96561473) is [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone is CN1CCO[C@@H](C(=O)N2CC[C@H](OCCCc3ccccc3)C2)C1.
What is the InChIKey of [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone?
The InChIKey is QAGZDAVAYIUMSQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-20-11-13-24-18(15-20)19(22)21-10-9-17(14-21)23-12-5-8-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3/t17-,18+/m0/s1.
What are the key properties of [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone?
[(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-methylmorpholin-2-yl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 96561473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).