3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one

C20H30N2O3 — CID 71981107

IUPAC3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESCc1cc(C)cc(OCCN(C)C2CCN(C3CCOCC3)C2=O)c1
InChIInChI=1S/C20H30N2O3/c1-15-12-16(2)14-18(13-15)25-11-8-21(3)19-4-7-22(20(19)23)17-5-9-24-10-6-17/h12-14,17,19H,4-11H2,1-3H3
InChIKeyQZOHOUALXDTJBB-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.39
Rot. Bonds6

About 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one

3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 71981107) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID71981107
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESCc1cc(C)cc(OCCN(C)C2CCN(C3CCOCC3)C2=O)c1
InChIInChI=1S/C20H30N2O3/c1-15-12-16(2)14-18(13-15)25-11-8-21(3)19-4-7-22(20(19)23)17-5-9-24-10-6-17/h12-14,17,19H,4-11H2,1-3H3
InChIKeyQZOHOUALXDTJBB-UHFFFAOYSA-N
XLogP2.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-Methoxyphenyl)ethyl]-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2997772
Acetamide, 2-(diethylamino)-N-methyl-N-(2-(m-methylphenoxy)ethyl)-, hydrochloride
CID 3060137
Acetamide, 2-(diethylamino)-N-ethyl-N-(1-(3,5-xylyloxy)-2-propyl)-, hydrochloride
CID 24832191
2-(3,5-Dimethylphenoxy)-1-pyrrolidinylethan-1-one
CID 1154196
2-[4-[2-(3,5-Dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]acetamide
CID 48172867
N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)butanamide
CID 50977075
N-[2-(2-ethylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
CID 50982632
1-acetyl-N-[2-(2,6-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 51081092
1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 51092522
3-[2-(3,5-Dimethylphenoxy)ethyl-methylamino]oxolan-2-one
CID 53523886
3-(3,5-dimethylphenoxy)-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
CID 53567595
N-methyl-2-(3-methylphenoxy)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]acetamide
CID 56792650

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one (CID 71981107) is 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one is Cc1cc(C)cc(OCCN(C)C2CCN(C3CCOCC3)C2=O)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is QZOHOUALXDTJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-12-16(2)14-18(13-15)25-11-8-21(3)19-4-7-22(20(19)23)17-5-9-24-10-6-17/h12-14,17,19H,4-11H2,1-3H3.
What are the key properties of 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one?
3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 346.47 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71981107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).