(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole

C18H26N2O3 — CID 15472636

IUPAC(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H26N2O3/c1-21-13-15-5-4-11-19(15)20-12-10-17(23-3)18(20)14-6-8-16(22-2)9-7-14/h6-10,15,18H,4-5,11-13H2,1-3H3/t15-,18-/m0/s1
InChIKeyKSPPZHABZWYQQC-YJBOKZPZSA-N
MW318.42 g/mol
LogP2.61
Rot. Bonds6

About (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole

(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole (PubChem CID 15472636) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole
PubChem CID15472636
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole
SMILESCOC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H26N2O3/c1-21-13-15-5-4-11-19(15)20-12-10-17(23-3)18(20)14-6-8-16(22-2)9-7-14/h6-10,15,18H,4-5,11-13H2,1-3H3/t15-,18-/m0/s1
InChIKeyKSPPZHABZWYQQC-YJBOKZPZSA-N
XLogP2.61
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

alpha-(4-Methoxyphenyl)-4-morpholineacetonitrile
CID 85814
1-Propan-2-yl-4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 9879473
2-(4-Methoxyphenyl)-1-methylpyrrolidine
CID 44386904
4-(4-Methoxybenzyl)morpholine
CID 782439
4-Cyclopentyl-2-((4-(pyrrolidin-1-ylmethyl)phenoxy)methyl)morpholine
CID 44581098
Diethyl-[2-(4-piperidin-1-ylmethyl-phenoxy)-ethyl]-amine
CID 11808427
13-(4-Methoxybenzyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 3414763
N-Nitroso-N-(p-methoxybenzyl)methylamine
CID 55202
2-(4-Methoxyphenyl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 3158581
3-(4-methoxyphenyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,2-dicarbonitrile
CID 5291464
N,N-dimethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine
CID 44351678
N-ethyl-N-(4-(8-(pyrrolidin-1-yl)octyloxy)benzyl)ethanamine
CID 46890025

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole?
The IUPAC name of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole (CID 15472636) is (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole.
What is the SMILES notation for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole?
The canonical SMILES for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole is COC[C@@H]1CCCN1N1CC=C(OC)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole?
The InChIKey is KSPPZHABZWYQQC-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-21-13-15-5-4-11-19(15)20-12-10-17(23-3)18(20)14-6-8-16(22-2)9-7-14/h6-10,15,18H,4-5,11-13H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole?
(2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole has a molecular weight of 318.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)-2,5-dihydropyrrole is sourced from PubChem (CID 15472636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).