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

C23H25N3O4 — CID 25138260

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C23H25N3O4/c1-14-18(17-4-2-3-5-20(17)24-14)12-15-6-8-16(9-7-15)22(27)25-21-10-11-30-13-19(21)23(28)26-29/h2-9,19,21,24,29H,10-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
InChIKeyDOXOLOXDHNMGLW-PZJWPPBQSA-N
MW407.47 g/mol
LogP2.71
Rot. Bonds5

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

(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 25138260) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID25138260
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C23H25N3O4/c1-14-18(17-4-2-3-5-20(17)24-14)12-15-6-8-16(9-7-15)22(27)25-21-10-11-30-13-19(21)23(28)26-29/h2-9,19,21,24,29H,10-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
InChIKeyDOXOLOXDHNMGLW-PZJWPPBQSA-N
XLogP2.71
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (CID 25138260) is (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is Cc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is DOXOLOXDHNMGLW-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14-18(17-4-2-3-5-20(17)24-14)12-15-6-8-16(9-7-15)22(27)25-21-10-11-30-13-19(21)23(28)26-29/h2-9,19,21,24,29H,10-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1H-indol-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 25138260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).