N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide

C15H30N2O4 — CID 23140985

IUPACN,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(C)C(CO)NC(=O)C(C)(C)C(=O)NC(CO)C(C)C
InChIInChI=1S/C15H30N2O4/c1-9(2)11(7-18)16-13(20)15(5,6)14(21)17-12(8-19)10(3)4/h9-12,18-19H,7-8H2,1-6H3,(H,16,20)(H,17,21)
InChIKeyWYAFXHCGVCNSMG-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.28
Rot. Bonds8

About N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide

N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide (PubChem CID 23140985) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide
PubChem CID23140985
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC NameN,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide
SMILESCC(C)C(CO)NC(=O)C(C)(C)C(=O)NC(CO)C(C)C
InChIInChI=1S/C15H30N2O4/c1-9(2)11(7-18)16-13(20)15(5,6)14(21)17-12(8-19)10(3)4/h9-12,18-19H,7-8H2,1-6H3,(H,16,20)(H,17,21)
InChIKeyWYAFXHCGVCNSMG-UHFFFAOYSA-N
XLogP0.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide (CID 23140985) is N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide is CC(C)C(CO)NC(=O)C(C)(C)C(=O)NC(CO)C(C)C.
What is the InChIKey of N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide?
The InChIKey is WYAFXHCGVCNSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-9(2)11(7-18)16-13(20)15(5,6)14(21)17-12(8-19)10(3)4/h9-12,18-19H,7-8H2,1-6H3,(H,16,20)(H,17,21).
What are the key properties of N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide?
N,N'-bis(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanediamide has a molecular weight of 302.42 g/mol, XLogP of 0.28, 8 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-3-methylbutan-2-yl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).