(2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide

C21H27N3O6 — CID 142170821

IUPAC(2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide
SMILESCC(C)CC(C(=O)N1CCOCC1)[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)NO
InChIInChI=1S/C21H27N3O6/c1-13(2)11-16(19(26)23-7-9-30-10-8-23)17(18(25)22-29)12-24-20(27)14-5-3-4-6-15(14)21(24)28/h3-6,13,16-17,29H,7-12H2,1-2H3,(H,22,25)/t16?,17-/m0/s1
InChIKeyNFRICHJLQIOONF-DJNXLDHESA-N
MW417.46 g/mol
LogP0.93
Rot. Bonds7

About (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide

(2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide (PubChem CID 142170821) has the molecular formula C21H27N3O6 and a molecular weight of 417.46 g/mol. Its IUPAC name is (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide.

Molecular Properties

Compound Name(2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide
PubChem CID142170821
Molecular FormulaC21H27N3O6
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Name(2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide
SMILESCC(C)CC(C(=O)N1CCOCC1)[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)NO
InChIInChI=1S/C21H27N3O6/c1-13(2)11-16(19(26)23-7-9-30-10-8-23)17(18(25)22-29)12-24-20(27)14-5-3-4-6-15(14)21(24)28/h3-6,13,16-17,29H,7-12H2,1-2H3,(H,22,25)/t16?,17-/m0/s1
InChIKeyNFRICHJLQIOONF-DJNXLDHESA-N
XLogP0.93
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide 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 (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide?
The IUPAC name of (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide (CID 142170821) is (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide.
What is the SMILES notation for (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide?
The canonical SMILES for (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide is CC(C)CC(C(=O)N1CCOCC1)[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)NO.
What is the InChIKey of (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide?
The InChIKey is NFRICHJLQIOONF-DJNXLDHESA-N. The full InChI is InChI=1S/C21H27N3O6/c1-13(2)11-16(19(26)23-7-9-30-10-8-23)17(18(25)22-29)12-24-20(27)14-5-3-4-6-15(14)21(24)28/h3-6,13,16-17,29H,7-12H2,1-2H3,(H,22,25)/t16?,17-/m0/s1.
What are the key properties of (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide?
(2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide has a molecular weight of 417.46 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide is sourced from PubChem (CID 142170821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).