(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

C20H29N3O3 — CID 97209081

IUPAC(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccccc1OC1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C20H29N3O3/c1-4-15-7-5-6-8-18(15)26-17-13-23(14-17)20(25)16-11-19(24)22(12-16)10-9-21(2)3/h5-8,16-17H,4,9-14H2,1-3H3/t16-/m0/s1
InChIKeyGBMXTWCFPZNVLB-INIZCTEOSA-N
MW359.47 g/mol
LogP1.25
Rot. Bonds7

About (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97209081) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97209081
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccccc1OC1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1
InChIInChI=1S/C20H29N3O3/c1-4-15-7-5-6-8-18(15)26-17-13-23(14-17)20(25)16-11-19(24)22(12-16)10-9-21(2)3/h5-8,16-17H,4,9-14H2,1-3H3/t16-/m0/s1
InChIKeyGBMXTWCFPZNVLB-INIZCTEOSA-N
XLogP1.25
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120749928
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
(4S)-4-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97189532
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
(4R)-4-[3-(2-fluorophenoxy)azetidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97274959
[3-(2-ethylphenoxy)azetidin-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 72899316
1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849
[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70710333
1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 120735194
1-[2-(dimethylamino)ethyl]-4-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 136542936

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one (CID 97209081) is (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is CCc1ccccc1OC1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1.
What is the InChIKey of (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GBMXTWCFPZNVLB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-15-7-5-6-8-18(15)26-17-13-23(14-17)20(25)16-11-19(24)22(12-16)10-9-21(2)3/h5-8,16-17H,4,9-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97209081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).