(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide

C18H27NO5 — CID 135014550

IUPAC(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](O)C(=O)CCCCCOCc1ccccc1
InChIInChI=1S/C18H27NO5/c1-19(2)18(23)17(22)16(21)15(20)11-7-4-8-12-24-13-14-9-5-3-6-10-14/h3,5-6,9-10,16-17,21-22H,4,7-8,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyOWQZQNVBTKWJFX-DLBZAZTESA-N
MW337.42 g/mol
LogP1.14
Rot. Bonds11

About (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide

(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide (PubChem CID 135014550) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide
PubChem CID135014550
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](O)C(=O)CCCCCOCc1ccccc1
InChIInChI=1S/C18H27NO5/c1-19(2)18(23)17(22)16(21)15(20)11-7-4-8-12-24-13-14-9-5-3-6-10-14/h3,5-6,9-10,16-17,21-22H,4,7-8,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyOWQZQNVBTKWJFX-DLBZAZTESA-N
XLogP1.14
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide (CID 135014550) is (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide is CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)CCCCCOCc1ccccc1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide?
The InChIKey is OWQZQNVBTKWJFX-DLBZAZTESA-N. The full InChI is InChI=1S/C18H27NO5/c1-19(2)18(23)17(22)16(21)15(20)11-7-4-8-12-24-13-14-9-5-3-6-10-14/h3,5-6,9-10,16-17,21-22H,4,7-8,11-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide?
(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide has a molecular weight of 337.42 g/mol, XLogP of 1.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-9-phenylmethoxynonanamide is sourced from PubChem (CID 135014550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).