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

C24H28N4O4 — CID 10160197

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C24H28N4O4/c1-15(2)22-25-20-5-3-4-6-21(20)28(22)13-16-7-9-17(10-8-16)23(29)26-19-11-12-32-14-18(19)24(30)27-31/h3-10,15,18-19,31H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m0/s1
InChIKeyIYGKJIOIZXNZOC-RBUKOAKNSA-N
MW436.51 g/mol
LogP2.85
Rot. Bonds6

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

(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 10160197) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID10160197
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C24H28N4O4/c1-15(2)22-25-20-5-3-4-6-21(20)28(22)13-16-7-9-17(10-8-16)23(29)26-19-11-12-32-14-18(19)24(30)27-31/h3-10,15,18-19,31H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m0/s1
InChIKeyIYGKJIOIZXNZOC-RBUKOAKNSA-N
XLogP2.85
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.85
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide (CID 10160197) is (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide is CC(C)c1nc2ccccc2n1Cc1ccc(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-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is IYGKJIOIZXNZOC-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15(2)22-25-20-5-3-4-6-21(20)28(22)13-16-7-9-17(10-8-16)23(29)26-19-11-12-32-14-18(19)24(30)27-31/h3-10,15,18-19,31H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 10160197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).