N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide

C15H29N3O7S — CID 54385621

IUPACN,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide
SMILESCNC(=O)C(NC(=O)C(CC(C)C)C(O)C(=O)NO)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H29N3O7S/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-5)15(3,4)26(6,24)25/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)
InChIKeyVDANJLHLERIOHV-UHFFFAOYSA-N
MW395.48 g/mol
LogP-1.43
Rot. Bonds9

About N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide

N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide (PubChem CID 54385621) has the molecular formula C15H29N3O7S and a molecular weight of 395.48 g/mol. Its IUPAC name is N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide.

Molecular Properties

Compound NameN,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide
PubChem CID54385621
Molecular FormulaC15H29N3O7S
Molecular Weight395.48 g/mol
Exact Mass395.17
IUPAC NameN,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide
SMILESCNC(=O)C(NC(=O)C(CC(C)C)C(O)C(=O)NO)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C15H29N3O7S/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-5)15(3,4)26(6,24)25/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)
InChIKeyVDANJLHLERIOHV-UHFFFAOYSA-N
XLogP-1.43
TPSA161.90 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide?
The IUPAC name of N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide (CID 54385621) is N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide.
What is the SMILES notation for N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide?
The canonical SMILES for N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide is CNC(=O)C(NC(=O)C(CC(C)C)C(O)C(=O)NO)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide?
The InChIKey is VDANJLHLERIOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O7S/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-5)15(3,4)26(6,24)25/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21).
What are the key properties of N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide?
N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide has a molecular weight of 395.48 g/mol, XLogP of -1.43, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide is sourced from PubChem (CID 54385621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).