(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one

C26H31NO3 — CID 71029510

IUPAC(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C[C@H](c3ccc(OCC4CC4)c(OC4CCCC4)c3)CC2=O)c1
InChIInChI=1S/C26H31NO3/c1-18-5-4-6-22(13-18)27-16-21(15-26(27)28)20-11-12-24(29-17-19-9-10-19)25(14-20)30-23-7-2-3-8-23/h4-6,11-14,19,21,23H,2-3,7-10,15-17H2,1H3/t21-/m1/s1
InChIKeyJDJQHSLVQTXLPE-OAQYLSRUSA-N
MW405.54 g/mol
LogP5.63
Rot. Bonds7

About (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one

(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one (PubChem CID 71029510) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one
PubChem CID71029510
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C[C@H](c3ccc(OCC4CC4)c(OC4CCCC4)c3)CC2=O)c1
InChIInChI=1S/C26H31NO3/c1-18-5-4-6-22(13-18)27-16-21(15-26(27)28)20-11-12-24(29-17-19-9-10-19)25(14-20)30-23-7-2-3-8-23/h4-6,11-14,19,21,23H,2-3,7-10,15-17H2,1H3/t21-/m1/s1
InChIKeyJDJQHSLVQTXLPE-OAQYLSRUSA-N
XLogP5.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 10021760
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylsulfinylphenyl)pyrrolidin-2-one
CID 15958398
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3,4-dicyclopentyloxyphenyl)pyrrolidin-2-one
CID 89146208
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzenecarboximidamide
CID 68831352
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 10364767
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one
CID 89203877
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-fluorobenzenesulfonamide
CID 15958417
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 157089676
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one (CID 71029510) is (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one is Cc1cccc(N2C[C@H](c3ccc(OCC4CC4)c(OC4CCCC4)c3)CC2=O)c1.
What is the InChIKey of (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one?
The InChIKey is JDJQHSLVQTXLPE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31NO3/c1-18-5-4-6-22(13-18)27-16-21(15-26(27)28)20-11-12-24(29-17-19-9-10-19)25(14-20)30-23-7-2-3-8-23/h4-6,11-14,19,21,23H,2-3,7-10,15-17H2,1H3/t21-/m1/s1.
What are the key properties of (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one?
(4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one has a molecular weight of 405.54 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-cyclopentyloxy-4-(cyclopropylmethoxy)phenyl]-1-(3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 71029510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).