(5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide

C27H32N4O4 — CID 10184071

IUPAC(5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide
SMILESCC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C27H32N4O4/c1-17(2)24-28-21-6-3-4-7-23(21)31(24)16-18-8-10-19(11-9-18)25(32)29-22-15-27(12-5-13-35-27)14-20(22)26(33)30-34/h3-4,6-11,17,20,22,34H,5,12-16H2,1-2H3,(H,29,32)(H,30,33)/t20-,22+,27+/m0/s1
InChIKeyJFELXNYVJCRVPT-ZVUIFXONSA-N
MW476.58 g/mol
LogP3.77
Rot. Bonds6

About (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide

(5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide (PubChem CID 10184071) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide
PubChem CID10184071
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name(5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide
SMILESCC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)cc1
InChIInChI=1S/C27H32N4O4/c1-17(2)24-28-21-6-3-4-7-23(21)31(24)16-18-8-10-19(11-9-18)25(32)29-22-15-27(12-5-13-35-27)14-20(22)26(33)30-34/h3-4,6-11,17,20,22,34H,5,12-16H2,1-2H3,(H,29,32)(H,30,33)/t20-,22+,27+/m0/s1
InChIKeyJFELXNYVJCRVPT-ZVUIFXONSA-N
XLogP3.77
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.77
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'}

Analyze (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide (CID 10184071) is (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide is CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)cc1.
What is the InChIKey of (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide?
The InChIKey is JFELXNYVJCRVPT-ZVUIFXONSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17(2)24-28-21-6-3-4-7-23(21)31(24)16-18-8-10-19(11-9-18)25(32)29-22-15-27(12-5-13-35-27)14-20(22)26(33)30-34/h3-4,6-11,17,20,22,34H,5,12-16H2,1-2H3,(H,29,32)(H,30,33)/t20-,22+,27+/m0/s1.
What are the key properties of (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide?
(5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S,8R)-N-hydroxy-8-[[4-[(2-propan-2-ylbenzimidazol-1-yl)methyl]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 10184071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).