(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one

C26H34N2O3 — CID 118284297

IUPAC(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one
SMILESCCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC
InChIInChI=1S/C26H34N2O3/c1-4-19-18-22(10-13-24(19)30-17-16-27(3)5-2)28-15-14-25(26(28)29)31-23-11-8-21(9-12-23)20-6-7-20/h8-13,18,20,25H,4-7,14-17H2,1-3H3/t25-/m0/s1
InChIKeyVPNNIPMZPWBPRR-VWLOTQADSA-N
MW422.57 g/mol
LogP4.64
Rot. Bonds10

About (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one

(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one (PubChem CID 118284297) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one
PubChem CID118284297
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one
SMILESCCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC
InChIInChI=1S/C26H34N2O3/c1-4-19-18-22(10-13-24(19)30-17-16-27(3)5-2)28-15-14-25(26(28)29)31-23-11-8-21(9-12-23)20-6-7-20/h8-13,18,20,25H,4-7,14-17H2,1-3H3/t25-/m0/s1
InChIKeyVPNNIPMZPWBPRR-VWLOTQADSA-N
XLogP4.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(methylamino)ethoxy]phenyl]pyrrolidin-2-one
CID 73387699
(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
CID 73386757
N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide
CID 118287741
(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
CID 73386863
N-[2-[4-[3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl]-N-methylacetamide
CID 90004706
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-ethylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one
CID 90001923
(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 73387814
(3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
CID 161115857
(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one
CID 73387452
(3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
CID 160994540
4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-2H-pyrrol-5-one
CID 118284335
4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 118284339

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one (CID 118284297) is (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one is CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC.
What is the InChIKey of (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is VPNNIPMZPWBPRR-VWLOTQADSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-4-19-18-22(10-13-24(19)30-17-16-27(3)5-2)28-15-14-25(26(28)29)31-23-11-8-21(9-12-23)20-6-7-20/h8-13,18,20,25H,4-7,14-17H2,1-3H3/t25-/m0/s1.
What are the key properties of (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one?
(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 422.57 g/mol, XLogP of 4.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 118284297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).