N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide

C13H17NO2 — CID 11138618

IUPACN-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
SMILESCC1(C)C[C@H](NC(=O)c2ccccc2)CO1
InChIInChI=1S/C13H17NO2/c1-13(2)8-11(9-16-13)14-12(15)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCBHBOPACCJCNJH-NSHDSACASA-N
MW219.28 g/mol
LogP1.98
Rot. Bonds2

About N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide

N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide (PubChem CID 11138618) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
PubChem CID11138618
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
SMILESCC1(C)C[C@H](NC(=O)c2ccccc2)CO1
InChIInChI=1S/C13H17NO2/c1-13(2)8-11(9-16-13)14-12(15)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyCBHBOPACCJCNJH-NSHDSACASA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide 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 N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide?
The IUPAC name of N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide (CID 11138618) is N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide.
What is the SMILES notation for N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide?
The canonical SMILES for N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide is CC1(C)C[C@H](NC(=O)c2ccccc2)CO1.
What is the InChIKey of N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide?
The InChIKey is CBHBOPACCJCNJH-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)8-11(9-16-13)14-12(15)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide?
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide has a molecular weight of 219.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide is sourced from PubChem (CID 11138618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).