N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide

C18H25NO4 — CID 155901756

IUPACN-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]1[C@@H](O)CO2
InChIInChI=1S/C18H25NO4/c1-22-12-18(21)19(10-13-5-3-2-4-6-13)16-8-7-14-9-15(16)17(20)11-23-14/h2-6,14-17,20H,7-12H2,1H3/t14-,15+,16-,17+/m1/s1
InChIKeyIJGIJOYMMKRZGC-TWMKSMIVSA-N
MW319.40 g/mol
LogP1.59
Rot. Bonds5

About N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide

N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide (PubChem CID 155901756) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide
PubChem CID155901756
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]1[C@@H](O)CO2
InChIInChI=1S/C18H25NO4/c1-22-12-18(21)19(10-13-5-3-2-4-6-13)16-8-7-14-9-15(16)17(20)11-23-14/h2-6,14-17,20H,7-12H2,1H3/t14-,15+,16-,17+/m1/s1
InChIKeyIJGIJOYMMKRZGC-TWMKSMIVSA-N
XLogP1.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide 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

N-benzyl-N-(2,2-dimethylcyclopentyl)-2-methoxyacetamide
CID 71861388
N-benzyl-N-[(1R)-2,2-dimethylcyclopentyl]-2-methoxyacetamide
CID 96529658
methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
CID 52684721
N-cyclopentyl-2-methoxy-N-[[4-(oxolan-3-yloxy)phenyl]methyl]acetamide
CID 45239699
benzyl-[(3S,4R)-3-hydroxyoxan-4-yl]carbamic acid
CID 70664248
N-benzyl-N-cyclopropyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119703228
[3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate
CID 42811412
N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 118558613
N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide
CID 118558614
N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 78845177
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
2-(2-aminoethoxy)-N-benzyl-N-cyclopropylacetamide
CID 79473802

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide?
The IUPAC name of N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide (CID 155901756) is N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide.
What is the SMILES notation for N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide?
The canonical SMILES for N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide is COCC(=O)N(Cc1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]1[C@@H](O)CO2.
What is the InChIKey of N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide?
The InChIKey is IJGIJOYMMKRZGC-TWMKSMIVSA-N. The full InChI is InChI=1S/C18H25NO4/c1-22-12-18(21)19(10-13-5-3-2-4-6-13)16-8-7-14-9-15(16)17(20)11-23-14/h2-6,14-17,20H,7-12H2,1H3/t14-,15+,16-,17+/m1/s1.
What are the key properties of N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide?
N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide has a molecular weight of 319.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1R,4R,5S,6R)-4-hydroxy-2-oxabicyclo[3.3.1]nonan-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 155901756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).