1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one

C20H28N2O3 — CID 70757419

IUPAC1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccccc1COC1CN(C(=O)C2CC(=O)N(C(C)(C)C)C2)C1
InChIInChI=1S/C20H28N2O3/c1-14-7-5-6-8-15(14)13-25-17-11-21(12-17)19(24)16-9-18(23)22(10-16)20(2,3)4/h5-8,16-17H,9-13H2,1-4H3
InChIKeyUGTDJOXEBAICBZ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.37
Rot. Bonds4

About 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one

1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70757419) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID70757419
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccccc1COC1CN(C(=O)C2CC(=O)N(C(C)(C)C)C2)C1
InChIInChI=1S/C20H28N2O3/c1-14-7-5-6-8-15(14)13-25-17-11-21(12-17)19(24)16-9-18(23)22(10-16)20(2,3)4/h5-8,16-17H,9-13H2,1-4H3
InChIKeyUGTDJOXEBAICBZ-UHFFFAOYSA-N
XLogP2.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one (CID 70757419) is 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one is Cc1ccccc1COC1CN(C(=O)C2CC(=O)N(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is UGTDJOXEBAICBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14-7-5-6-8-15(14)13-25-17-11-21(12-17)19(24)16-9-18(23)22(10-16)20(2,3)4/h5-8,16-17H,9-13H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one?
1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 344.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70757419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).