(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one

C26H32N2O3 — CID 73387814

IUPAC(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C26H32N2O3/c1-19-18-22(8-11-24(19)30-17-16-27-13-2-3-14-27)28-15-12-25(26(28)29)31-23-9-6-21(7-10-23)20-4-5-20/h6-11,18,20,25H,2-5,12-17H2,1H3/t25-/m0/s1
InChIKeyUXSDFGFEVPUOQH-VWLOTQADSA-N
MW420.55 g/mol
LogP4.53
Rot. Bonds8

About (3S)-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 (PubChem CID 73387814) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
PubChem CID73387814
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C26H32N2O3/c1-19-18-22(8-11-24(19)30-17-16-27-13-2-3-14-27)28-15-12-25(26(28)29)31-23-9-6-21(7-10-23)20-4-5-20/h6-11,18,20,25H,2-5,12-17H2,1H3/t25-/m0/s1
InChIKeyUXSDFGFEVPUOQH-VWLOTQADSA-N
XLogP4.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
CID 73386757
(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one
CID 73387452
(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-[3-ethyl-4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
CID 73386863
(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-[ethyl(methyl)amino]ethoxy]phenyl]pyrrolidin-2-one
CID 118284297
N-[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-ethylphenoxy]ethyl]methanesulfonamide
CID 118287741
4-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 118284339
1-[4-[tert-butyl(dimethyl)silyl]oxy-3-ethylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one
CID 90001923
(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
1-[4-[(2S)-3-ethylsulfonyl-2-hydroxypropoxy]-3-methylphenyl]-3-[4-(4-fluorophenyl)phenoxy]pyrrolidin-2-one
CID 118282573
4-[1-[4-[(2S)-3-ethylsulfonyl-2-hydroxypropoxy]-3-methylphenyl]-2-oxopyrrolidin-3-yl]oxybenzaldehyde
CID 126656798

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one (CID 73387814) is (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one is Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.
What is the InChIKey of (3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is UXSDFGFEVPUOQH-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-19-18-22(8-11-24(19)30-17-16-27-13-2-3-14-27)28-15-12-25(26(28)29)31-23-9-6-21(7-10-23)20-4-5-20/h6-11,18,20,25H,2-5,12-17H2,1H3/t25-/m0/s1.
What are the key properties of (3S)-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 has a molecular weight of 420.55 g/mol, XLogP of 4.53, 8 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-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 73387814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).