2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide

C19H21NO4 — CID 91789422

IUPAC2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
SMILESCc1ccc(OCc2occc2C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1
InChIInChI=1S/C19H21NO4/c1-12-2-4-13(5-3-12)24-11-18-15(7-9-23-18)19(21)20-16-10-17-14(16)6-8-22-17/h2-5,7,9,14,16-17H,6,8,10-11H2,1H3,(H,20,21)/t14-,16+,17+/m1/s1
InChIKeyPXECZBIZFCIGPE-PVAVHDDUSA-N
MW327.38 g/mol
LogP3.07
Rot. Bonds5

About 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide

2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide (PubChem CID 91789422) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
PubChem CID91789422
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide
SMILESCc1ccc(OCc2occc2C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1
InChIInChI=1S/C19H21NO4/c1-12-2-4-13(5-3-12)24-11-18-15(7-9-23-18)19(21)20-16-10-17-14(16)6-8-22-17/h2-5,7,9,14,16-17H,6,8,10-11H2,1H3,(H,20,21)/t14-,16+,17+/m1/s1
InChIKeyPXECZBIZFCIGPE-PVAVHDDUSA-N
XLogP3.07
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide 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

2,4-dimethyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 133268115
N-(4-methoxyphenyl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
CID 6492523
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644
5-[4-(2-aminoethyl)phenoxy]-2-fluoro-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 172660232
2-(4-methyl-N-methylsulfonylanilino)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133266803
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(4-methylphenoxy)methyl]furan-3-yl]methanone
CID 56918960
2-[(4-methylphenoxy)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-3-carboxamide
CID 131901713
6-methoxy-3-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-2-carboxamide
CID 133266869
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 133266448
2-methyl-2-(3-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 133267311
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
CID 6492569
2-[(4-methylphenoxy)methyl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 135106836

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide (CID 91789422) is 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide is Cc1ccc(OCc2occc2C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide?
The InChIKey is PXECZBIZFCIGPE-PVAVHDDUSA-N. The full InChI is InChI=1S/C19H21NO4/c1-12-2-4-13(5-3-12)24-11-18-15(7-9-23-18)19(21)20-16-10-17-14(16)6-8-22-17/h2-5,7,9,14,16-17H,6,8,10-11H2,1H3,(H,20,21)/t14-,16+,17+/m1/s1.
What are the key properties of 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide?
2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]furan-3-carboxamide is sourced from PubChem (CID 91789422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).