N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide

C17H34N2O4 — CID 23141032

IUPACN,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(C)CC(CO)NC(=O)C(C)(C)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C17H34N2O4/c1-11(2)7-13(9-20)18-15(22)17(5,6)16(23)19-14(10-21)8-12(3)4/h11-14,20-21H,7-10H2,1-6H3,(H,18,22)(H,19,23)
InChIKeyHRSPRGPIOUVFSX-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.06
Rot. Bonds10

About N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide

N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide (PubChem CID 23141032) has the molecular formula C17H34N2O4 and a molecular weight of 330.47 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide
PubChem CID23141032
Molecular FormulaC17H34N2O4
Molecular Weight330.47 g/mol
Exact Mass330.25
IUPAC NameN,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(C)CC(CO)NC(=O)C(C)(C)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C17H34N2O4/c1-11(2)7-13(9-20)18-15(22)17(5,6)16(23)19-14(10-21)8-12(3)4/h11-14,20-21H,7-10H2,1-6H3,(H,18,22)(H,19,23)
InChIKeyHRSPRGPIOUVFSX-UHFFFAOYSA-N
XLogP1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide (CID 23141032) is N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide is CC(C)CC(CO)NC(=O)C(C)(C)C(=O)NC(CO)CC(C)C.
What is the InChIKey of N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide?
The InChIKey is HRSPRGPIOUVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4/c1-11(2)7-13(9-20)18-15(22)17(5,6)16(23)19-14(10-21)8-12(3)4/h11-14,20-21H,7-10H2,1-6H3,(H,18,22)(H,19,23).
What are the key properties of N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide?
N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide has a molecular weight of 330.47 g/mol, XLogP of 1.06, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 23141032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).