N,N'-dihydroxy-N,N'-dimethylpropanediamide

C5H10N2O4 — CID 20659482

IUPACN,N'-dihydroxy-N,N'-dimethylpropanediamide
SMILESCN(O)C(=O)CC(=O)N(C)O
InChIInChI=1S/C5H10N2O4/c1-6(10)4(8)3-5(9)7(2)11/h10-11H,3H2,1-2H3
InChIKeyOEJVPIBKOOVIED-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.93
Rot. Bonds2

About N,N'-dihydroxy-N,N'-dimethylpropanediamide

N,N'-dihydroxy-N,N'-dimethylpropanediamide (PubChem CID 20659482) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is N,N'-dihydroxy-N,N'-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-dihydroxy-N,N'-dimethylpropanediamide
PubChem CID20659482
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC NameN,N'-dihydroxy-N,N'-dimethylpropanediamide
SMILESCN(O)C(=O)CC(=O)N(C)O
InChIInChI=1S/C5H10N2O4/c1-6(10)4(8)3-5(9)7(2)11/h10-11H,3H2,1-2H3
InChIKeyOEJVPIBKOOVIED-UHFFFAOYSA-N
XLogP-0.93
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methylpropionohydroxamic acid
CID 14795102
[3-(Dimethoxyamino)-3-oxopropanoyl]-dimethoxy-methylazanium
CID 53636956
N,N'-dimethoxy-N'-methylpropanediamide
CID 53716419
N'-hydroxy-N-methylpropanediamide
CID 57598150
N'-hydroxy-N,N'-dimethylpropanediamide
CID 130417651
ethane;N-hydroxy-N-methylpropanamide
CID 143383179
N1,N3-Dimethoxy-N1,N3-dimethylmalonamide
CID 155775436
N-hydroxy-N',N'-dimethylpropanediamide
CID 131155759
N'-hydroxy-N,N,2,2-tetramethylpropanediamide
CID 144267563

Frequently Asked Questions

What is the IUPAC name of N,N'-dihydroxy-N,N'-dimethylpropanediamide?
The IUPAC name of N,N'-dihydroxy-N,N'-dimethylpropanediamide (CID 20659482) is N,N'-dihydroxy-N,N'-dimethylpropanediamide.
What is the SMILES notation for N,N'-dihydroxy-N,N'-dimethylpropanediamide?
The canonical SMILES for N,N'-dihydroxy-N,N'-dimethylpropanediamide is CN(O)C(=O)CC(=O)N(C)O.
What is the InChIKey of N,N'-dihydroxy-N,N'-dimethylpropanediamide?
The InChIKey is OEJVPIBKOOVIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-6(10)4(8)3-5(9)7(2)11/h10-11H,3H2,1-2H3.
What are the key properties of N,N'-dihydroxy-N,N'-dimethylpropanediamide?
N,N'-dihydroxy-N,N'-dimethylpropanediamide has a molecular weight of 162.15 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihydroxy-N,N'-dimethylpropanediamide is sourced from PubChem (CID 20659482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).