N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide

C14H28N2O4 — CID 11277679

IUPACN,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-13(2,3)9(7-17)15-11(19)12(20)16-10(8-18)14(4,5)6/h9-10,17-18H,7-8H2,1-6H3,(H,15,19)(H,16,20)/t9-,10-/m1/s1
InChIKeyCNXFMUJAXQMUEH-NXEZZACHSA-N
MW288.39 g/mol
LogP0.03
Rot. Bonds4

About N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide

N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide (PubChem CID 11277679) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide
PubChem CID11277679
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-13(2,3)9(7-17)15-11(19)12(20)16-10(8-18)14(4,5)6/h9-10,17-18H,7-8H2,1-6H3,(H,15,19)(H,16,20)/t9-,10-/m1/s1
InChIKeyCNXFMUJAXQMUEH-NXEZZACHSA-N
XLogP0.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide?
The IUPAC name of N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide (CID 11277679) is N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide.
What is the SMILES notation for N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide?
The canonical SMILES for N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide is CC(C)(C)[C@@H](CO)NC(=O)C(=O)N[C@H](CO)C(C)(C)C.
What is the InChIKey of N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide?
The InChIKey is CNXFMUJAXQMUEH-NXEZZACHSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-13(2,3)9(7-17)15-11(19)12(20)16-10(8-18)14(4,5)6/h9-10,17-18H,7-8H2,1-6H3,(H,15,19)(H,16,20)/t9-,10-/m1/s1.
What are the key properties of N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide?
N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide has a molecular weight of 288.39 g/mol, XLogP of 0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]oxamide is sourced from PubChem (CID 11277679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).