N,N'-ditert-butyl-2-hydroxypropanediamide

C11H22N2O3 — CID 146162900

IUPACN,N'-ditert-butyl-2-hydroxypropanediamide
SMILESCC(C)(C)NC(=O)C(O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-10(2,3)12-8(15)7(14)9(16)13-11(4,5)6/h7,14H,1-6H3,(H,12,15)(H,13,16)
InChIKeyMCZVKUGOTZMYBJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.18
Rot. Bonds2

About N,N'-ditert-butyl-2-hydroxypropanediamide

N,N'-ditert-butyl-2-hydroxypropanediamide (PubChem CID 146162900) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N,N'-ditert-butyl-2-hydroxypropanediamide.

Molecular Properties

Compound NameN,N'-ditert-butyl-2-hydroxypropanediamide
PubChem CID146162900
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN,N'-ditert-butyl-2-hydroxypropanediamide
SMILESCC(C)(C)NC(=O)C(O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-10(2,3)12-8(15)7(14)9(16)13-11(4,5)6/h7,14H,1-6H3,(H,12,15)(H,13,16)
InChIKeyMCZVKUGOTZMYBJ-UHFFFAOYSA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-ditert-butyl-2-hydroxypropanediamide?
The IUPAC name of N,N'-ditert-butyl-2-hydroxypropanediamide (CID 146162900) is N,N'-ditert-butyl-2-hydroxypropanediamide.
What is the SMILES notation for N,N'-ditert-butyl-2-hydroxypropanediamide?
The canonical SMILES for N,N'-ditert-butyl-2-hydroxypropanediamide is CC(C)(C)NC(=O)C(O)C(=O)NC(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-2-hydroxypropanediamide?
The InChIKey is MCZVKUGOTZMYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)12-8(15)7(14)9(16)13-11(4,5)6/h7,14H,1-6H3,(H,12,15)(H,13,16).
What are the key properties of N,N'-ditert-butyl-2-hydroxypropanediamide?
N,N'-ditert-butyl-2-hydroxypropanediamide has a molecular weight of 230.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-2-hydroxypropanediamide is sourced from PubChem (CID 146162900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).