(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide

C25H28N2O5 — CID 25138265

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCC(C)c1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C25H28N2O5/c1-15(2)23-19(18-5-3-4-6-22(18)32-23)13-16-7-9-17(10-8-16)24(28)26-21-11-12-31-14-20(21)25(29)27-30/h3-10,15,20-21,30H,11-14H2,1-2H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
InChIKeyJRZMGNCXDSZZAF-LEWJYISDSA-N
MW436.51 g/mol
LogP3.79
Rot. Bonds6

About (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide

(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 25138265) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID25138265
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCC(C)c1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C25H28N2O5/c1-15(2)23-19(18-5-3-4-6-22(18)32-23)13-16-7-9-17(10-8-16)24(28)26-21-11-12-31-14-20(21)25(29)27-30/h3-10,15,20-21,30H,11-14H2,1-2H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1
InChIKeyJRZMGNCXDSZZAF-LEWJYISDSA-N
XLogP3.79
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (CID 25138265) is (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is CC(C)c1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is JRZMGNCXDSZZAF-LEWJYISDSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-15(2)23-19(18-5-3-4-6-22(18)32-23)13-16-7-9-17(10-8-16)24(28)26-21-11-12-31-14-20(21)25(29)27-30/h3-10,15,20-21,30H,11-14H2,1-2H3,(H,26,28)(H,27,29)/t20-,21+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-yl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 25138265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).