N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide

C21H25NO4 — CID 91774436

IUPACN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide
SMILESCC[C@@H]1[C@@H](NC(=O)c2oc(COc3ccccc3)cc2C)[C@@H]2CCO[C@H]12
InChIInChI=1S/C21H25NO4/c1-3-16-18(17-9-10-24-20(16)17)22-21(23)19-13(2)11-15(26-19)12-25-14-7-5-4-6-8-14/h4-8,11,16-18,20H,3,9-10,12H2,1-2H3,(H,22,23)/t16-,17+,18-,20-/m1/s1
InChIKeyXFKNSSAFNKAXRH-AJYBTWMASA-N
MW355.43 g/mol
LogP3.71
Rot. Bonds6

About N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide

N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 91774436) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID91774436
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide
SMILESCC[C@@H]1[C@@H](NC(=O)c2oc(COc3ccccc3)cc2C)[C@@H]2CCO[C@H]12
InChIInChI=1S/C21H25NO4/c1-3-16-18(17-9-10-24-20(16)17)22-21(23)19-13(2)11-15(26-19)12-25-14-7-5-4-6-8-14/h4-8,11,16-18,20H,3,9-10,12H2,1-2H3,(H,22,23)/t16-,17+,18-,20-/m1/s1
InChIKeyXFKNSSAFNKAXRH-AJYBTWMASA-N
XLogP3.71
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 95120272
5-chloro-N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]furan-2-carboxamide
CID 91776367
N-[(1R,5S,6S,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91782943
3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 137210287
N-[(1S,5R,6S,7S)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-5-carboxamide
CID 164638200
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenoxybenzamide
CID 133265551
3-amino-N-(7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-4-phenyl-1H-pyrazole-5-carboxamide
CID 156608469
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91797099
6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 133266484
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide
CID 133267787
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
CID 91760512
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91842908

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide (CID 91774436) is N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide is CC[C@@H]1[C@@H](NC(=O)c2oc(COc3ccccc3)cc2C)[C@@H]2CCO[C@H]12.
What is the InChIKey of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is XFKNSSAFNKAXRH-AJYBTWMASA-N. The full InChI is InChI=1S/C21H25NO4/c1-3-16-18(17-9-10-24-20(16)17)22-21(23)19-13(2)11-15(26-19)12-25-14-7-5-4-6-8-14/h4-8,11,16-18,20H,3,9-10,12H2,1-2H3,(H,22,23)/t16-,17+,18-,20-/m1/s1.
What are the key properties of N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide?
N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 91774436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).