N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide

C16H21F2N3O3 — CID 91516911

IUPACN-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(CO)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F
InChIInChI=1S/C16H21F2N3O3/c1-9-6-21(7-10(2)24-9)16-13(8-22)4-12(14(17)15(16)18)5-19-20-11(3)23/h4-5,9-10,22H,6-8H2,1-3H3,(H,20,23)/t9-,10+
InChIKeyXOYCYCRFXWDNAU-AOOOYVTPSA-N
MW341.36 g/mol
LogP1.54
Rot. Bonds4

About N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide

N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide (PubChem CID 91516911) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide
PubChem CID91516911
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC NameN-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(CO)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F
InChIInChI=1S/C16H21F2N3O3/c1-9-6-21(7-10(2)24-9)16-13(8-22)4-12(14(17)15(16)18)5-19-20-11(3)23/h4-5,9-10,22H,6-8H2,1-3H3,(H,20,23)/t9-,10+
InChIKeyXOYCYCRFXWDNAU-AOOOYVTPSA-N
XLogP1.54
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide 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-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide?
The IUPAC name of N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide (CID 91516911) is N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide is CC(=O)NN=Cc1cc(CO)c(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1F.
What is the InChIKey of N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide?
The InChIKey is XOYCYCRFXWDNAU-AOOOYVTPSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c1-9-6-21(7-10(2)24-9)16-13(8-22)4-12(14(17)15(16)18)5-19-20-11(3)23/h4-5,9-10,22H,6-8H2,1-3H3,(H,20,23)/t9-,10+.
What are the key properties of N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide?
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide has a molecular weight of 341.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-5-(hydroxymethyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 91516911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).