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

C23H24N2O5 — CID 25138262

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCc1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C23H24N2O5/c1-14-18(17-4-2-3-5-21(17)30-14)12-15-6-8-16(9-7-15)22(26)24-20-10-11-29-13-19(20)23(27)25-28/h2-9,19-20,28H,10-13H2,1H3,(H,24,26)(H,25,27)/t19-,20+/m0/s1
InChIKeyAXERWECZRIZWCH-VQTJNVASSA-N
MW408.45 g/mol
LogP2.97
Rot. Bonds5

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

(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 25138262) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID25138262
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCc1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C23H24N2O5/c1-14-18(17-4-2-3-5-21(17)30-14)12-15-6-8-16(9-7-15)22(26)24-20-10-11-29-13-19(20)23(27)25-28/h2-9,19-20,28H,10-13H2,1H3,(H,24,26)(H,25,27)/t19-,20+/m0/s1
InChIKeyAXERWECZRIZWCH-VQTJNVASSA-N
XLogP2.97
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.97
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-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide (CID 25138262) is (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is Cc1oc2ccccc2c1Cc1ccc(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-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is AXERWECZRIZWCH-VQTJNVASSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14-18(17-4-2-3-5-21(17)30-14)12-15-6-8-16(9-7-15)22(26)24-20-10-11-29-13-19(20)23(27)25-28/h2-9,19-20,28H,10-13H2,1H3,(H,24,26)(H,25,27)/t19-,20+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 2.97, 5 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-methyl-1-benzofuran-3-yl)methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 25138262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).