2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

C17H23NO3 — CID 133267311

IUPAC2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESCc1cccc(OC(C)(C)C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C17H23NO3/c1-11-5-4-6-12(9-11)21-17(2,3)16(19)18-14-10-15-13(14)7-8-20-15/h4-6,9,13-15H,7-8,10H2,1-3H3,(H,18,19)/t13-,14+,15+/m0/s1
InChIKeyNABFJERUBXOWJX-RRFJBIMHSA-N
MW289.37 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide

2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (PubChem CID 133267311) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
PubChem CID133267311
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
SMILESCc1cccc(OC(C)(C)C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1
InChIInChI=1S/C17H23NO3/c1-11-5-4-6-12(9-11)21-17(2,3)16(19)18-14-10-15-13(14)7-8-20-15/h4-6,9,13-15H,7-8,10H2,1-3H3,(H,18,19)/t13-,14+,15+/m0/s1
InChIKeyNABFJERUBXOWJX-RRFJBIMHSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide 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

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91784475
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(trifluoromethoxy)benzamide
CID 133267398
N,2-dimethyl-2-(3-methylphenoxy)propanamide
CID 58376836
2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 133268115
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-methyl-2-(3-methylphenoxy)propanamide
CID 59684649
2-naphthalen-2-yl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268711
2-naphthalen-2-yl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91792975
2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
CID 91789422
6-methoxy-3-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-2-carboxamide
CID 133266869
2,2-difluoro-2-(3-methylphenoxy)-N-[(3S,4S)-3-methylpiperidin-4-yl]acetamide
CID 169209389
N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 156608301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The IUPAC name of 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide (CID 133267311) is 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide.
What is the SMILES notation for 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The canonical SMILES for 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is Cc1cccc(OC(C)(C)C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)c1.
What is the InChIKey of 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
The InChIKey is NABFJERUBXOWJX-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-5-4-6-12(9-11)21-17(2,3)16(19)18-14-10-15-13(14)7-8-20-15/h4-6,9,13-15H,7-8,10H2,1-3H3,(H,18,19)/t13-,14+,15+/m0/s1.
What are the key properties of 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide?
2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide has a molecular weight of 289.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide is sourced from PubChem (CID 133267311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).