N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide

C20H28N2O3 — CID 54651556

IUPACN-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1
InChIInChI=1S/C20H28N2O3/c1-25-13-19(24)21-11-17-20(18(12-23)22-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h5,7-10,17-18,20,22-23H,2-4,6,11-13H2,1H3,(H,21,24)/t17-,18-,20-/m0/s1
InChIKeyOFUKJGAVVWZAEQ-BJLQDIEVSA-N
MW344.46 g/mol
LogP1.82
Rot. Bonds7

About N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 54651556) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide
PubChem CID54651556
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1
InChIInChI=1S/C20H28N2O3/c1-25-13-19(24)21-11-17-20(18(12-23)22-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h5,7-10,17-18,20,22-23H,2-4,6,11-13H2,1H3,(H,21,24)/t17-,18-,20-/m0/s1
InChIKeyOFUKJGAVVWZAEQ-BJLQDIEVSA-N
XLogP1.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide (CID 54651556) is N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is OFUKJGAVVWZAEQ-BJLQDIEVSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-13-19(24)21-11-17-20(18(12-23)22-17)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h5,7-10,17-18,20,22-23H,2-4,6,11-13H2,1H3,(H,21,24)/t17-,18-,20-/m0/s1.
What are the key properties of N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 344.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 54651556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).