(2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide

C15H21NO2 — CID 97247029

IUPAC(2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide
SMILESCc1ccc(C)c(N(C(=O)[C@H]2CCO2)C(C)C)c1
InChIInChI=1S/C15H21NO2/c1-10(2)16(15(17)14-7-8-18-14)13-9-11(3)5-6-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3/t14-/m1/s1
InChIKeyBESZZBPSCUKVMS-CQSZACIVSA-N
MW247.34 g/mol
LogP2.83
Rot. Bonds3

About (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide

(2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide (PubChem CID 97247029) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide
PubChem CID97247029
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide
SMILESCc1ccc(C)c(N(C(=O)[C@H]2CCO2)C(C)C)c1
InChIInChI=1S/C15H21NO2/c1-10(2)16(15(17)14-7-8-18-14)13-9-11(3)5-6-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3/t14-/m1/s1
InChIKeyBESZZBPSCUKVMS-CQSZACIVSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide (CID 97247029) is (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide is Cc1ccc(C)c(N(C(=O)[C@H]2CCO2)C(C)C)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide?
The InChIKey is BESZZBPSCUKVMS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)16(15(17)14-7-8-18-14)13-9-11(3)5-6-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide?
(2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-N-propan-2-yloxetane-2-carboxamide is sourced from PubChem (CID 97247029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).