N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide

C50H68N2O3 — CID 24877301

IUPACN-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide
SMILESCC(C)(C)c1ccc(C(CN(O)[C@@H]2CCCCC2N(O)C(=O)C(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C50H68N2O3/c1-47(2,3)38-25-17-34(18-26-38)42(35-19-27-39(28-20-35)48(4,5)6)33-51(54)43-15-13-14-16-44(43)52(55)46(53)45(36-21-29-40(30-22-36)49(7,8)9)37-23-31-41(32-24-37)50(10,11)12/h17-32,42-45,54-55H,13-16,33H2,1-12H3/t43-,44?/m1/s1
InChIKeyFOGFZBNVMMKSJR-WARULYAYSA-N
MW745.10 g/mol
LogP12.06
Rot. Bonds9

About N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide

N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide (PubChem CID 24877301) has the molecular formula C50H68N2O3 and a molecular weight of 745.10 g/mol. Its IUPAC name is N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide
PubChem CID24877301
Molecular FormulaC50H68N2O3
Molecular Weight745.10 g/mol
Exact Mass744.52
IUPAC NameN-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide
SMILESCC(C)(C)c1ccc(C(CN(O)[C@@H]2CCCCC2N(O)C(=O)C(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C50H68N2O3/c1-47(2,3)38-25-17-34(18-26-38)42(35-19-27-39(28-20-35)48(4,5)6)33-51(54)43-15-13-14-16-44(43)52(55)46(53)45(36-21-29-40(30-22-36)49(7,8)9)37-23-31-41(32-24-37)50(10,11)12/h17-32,42-45,54-55H,13-16,33H2,1-12H3/t43-,44?/m1/s1
InChIKeyFOGFZBNVMMKSJR-WARULYAYSA-N
XLogP12.06
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.10
LogP ≤ 512.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide?
The IUPAC name of N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide (CID 24877301) is N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide.
What is the SMILES notation for N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide?
The canonical SMILES for N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide is CC(C)(C)c1ccc(C(CN(O)[C@@H]2CCCCC2N(O)C(=O)C(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide?
The InChIKey is FOGFZBNVMMKSJR-WARULYAYSA-N. The full InChI is InChI=1S/C50H68N2O3/c1-47(2,3)38-25-17-34(18-26-38)42(35-19-27-39(28-20-35)48(4,5)6)33-51(54)43-15-13-14-16-44(43)52(55)46(53)45(36-21-29-40(30-22-36)49(7,8)9)37-23-31-41(32-24-37)50(10,11)12/h17-32,42-45,54-55H,13-16,33H2,1-12H3/t43-,44?/m1/s1.
What are the key properties of N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide?
N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide has a molecular weight of 745.10 g/mol, XLogP of 12.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[2,2-bis(4-tert-butylphenyl)ethyl-hydroxyamino]cyclohexyl]-2,2-bis(4-tert-butylphenyl)-N-hydroxyacetamide is sourced from PubChem (CID 24877301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).