N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide

C17H22N2O4 — CID 91765094

IUPACN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide
SMILESCC(=O)N[C@@H]1[C@@H](NC(=O)COCc2ccccc2)[C@H]2CCO[C@H]21
InChIInChI=1S/C17H22N2O4/c1-11(20)18-16-15(13-7-8-23-17(13)16)19-14(21)10-22-9-12-5-3-2-4-6-12/h2-6,13,15-17H,7-10H2,1H3,(H,18,20)(H,19,21)/t13-,15+,16-,17-/m1/s1
InChIKeyGZDXQIDXULYVHA-XLNGHYISSA-N
MW318.37 g/mol
LogP0.61
Rot. Bonds6

About N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide (PubChem CID 91765094) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide
PubChem CID91765094
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide
SMILESCC(=O)N[C@@H]1[C@@H](NC(=O)COCc2ccccc2)[C@H]2CCO[C@H]21
InChIInChI=1S/C17H22N2O4/c1-11(20)18-16-15(13-7-8-23-17(13)16)19-14(21)10-22-9-12-5-3-2-4-6-12/h2-6,13,15-17H,7-10H2,1H3,(H,18,20)(H,19,21)/t13-,15+,16-,17-/m1/s1
InChIKeyGZDXQIDXULYVHA-XLNGHYISSA-N
XLogP0.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide with MolForge

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Related Compounds

N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-thiophen-2-ylacetamide
CID 91766795
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(benzotriazol-2-yl)acetamide
CID 133267427
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenylmethoxyacetamide
CID 154565135
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
N-[(1S,5S,6R,7S)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 133266590
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenylmethoxyacetamide;hydrochloride
CID 119457057
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-pyrazole-4-carboxamide
CID 91766543
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
N-[(3R,3aS,6S,6aR)-5-methoxy-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
CID 101362478
N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide
CID 53488379
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91764327
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-phenylmethoxyacetamide
CID 124607045

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide (CID 91765094) is N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide is CC(=O)N[C@@H]1[C@@H](NC(=O)COCc2ccccc2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide?
The InChIKey is GZDXQIDXULYVHA-XLNGHYISSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(20)18-16-15(13-7-8-23-17(13)16)19-14(21)10-22-9-12-5-3-2-4-6-12/h2-6,13,15-17H,7-10H2,1H3,(H,18,20)(H,19,21)/t13-,15+,16-,17-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide?
N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide has a molecular weight of 318.37 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-acetamido-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 91765094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).