(2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine

C20H29NO4 — CID 46845712

IUPAC(2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC[C@H](OCc2ccc(OC)cc2)[C@@H]1[C@H](C=C)OCOC
InChIInChI=1S/C20H29NO4/c1-5-12-21-13-11-19(20(21)18(6-2)25-15-22-3)24-14-16-7-9-17(23-4)10-8-16/h5-10,18-20H,1-2,11-15H2,3-4H3/t18-,19-,20-/m0/s1
InChIKeyUETSUZLTDGWHMR-UFYCRDLUSA-N
MW347.45 g/mol
LogP3.02
Rot. Bonds11

About (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine

(2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine (PubChem CID 46845712) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine
PubChem CID46845712
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name(2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC[C@H](OCc2ccc(OC)cc2)[C@@H]1[C@H](C=C)OCOC
InChIInChI=1S/C20H29NO4/c1-5-12-21-13-11-19(20(21)18(6-2)25-15-22-3)24-14-16-7-9-17(23-4)10-8-16/h5-10,18-20H,1-2,11-15H2,3-4H3/t18-,19-,20-/m0/s1
InChIKeyUETSUZLTDGWHMR-UFYCRDLUSA-N
XLogP3.02
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[bis(4-methoxyphenyl)methoxymethyl]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 9847141
2-(4-Methoxyphenyl)-3-methyl-1,3-oxazolidine
CID 217951
5-[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]-3-(1-methylethyl)-2-oxazolidinone
CID 13273019
Dragocin A
CID 146683126
7-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 16736135
(2S)-1-[2-(4-methoxyphenyl)ethyl]-2-(phenylmethoxymethyl)pyrrolidine
CID 44347615
(2R,3R,4R)-2-(hydroxymethyl)-1-[4-(4-methoxyphenyl)butyl]pyrrolidine-3,4-diol
CID 172464227
cis-2-(4-Methoxyphenyl)-3,4-dimethyl-5-phenyl-oxazolidine
CID 600953
1-((2-(4-Methoxyphenyl)-1,3-dioxolan-4-yl)methyl)piperidine
CID 2828534
(2R,3S,4S)-3,4-bis(methoxymethoxy)-2-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine
CID 11727108
N'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N,N-dimethyl-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 164638628
7-[2-[2-(3,4-Dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 71123867

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine?
The IUPAC name of (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine (CID 46845712) is (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine.
What is the SMILES notation for (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine?
The canonical SMILES for (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine is C=CCN1CC[C@H](OCc2ccc(OC)cc2)[C@@H]1[C@H](C=C)OCOC.
What is the InChIKey of (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine?
The InChIKey is UETSUZLTDGWHMR-UFYCRDLUSA-N. The full InChI is InChI=1S/C20H29NO4/c1-5-12-21-13-11-19(20(21)18(6-2)25-15-22-3)24-14-16-7-9-17(23-4)10-8-16/h5-10,18-20H,1-2,11-15H2,3-4H3/t18-,19-,20-/m0/s1.
What are the key properties of (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine?
(2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine has a molecular weight of 347.45 g/mol, XLogP of 3.02, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(1S)-1-(methoxymethoxy)prop-2-enyl]-3-[(4-methoxyphenyl)methoxy]-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 46845712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).