N-tert-butyl-N',N'-diethylpropanediamide

C11H22N2O2 — CID 108951053

IUPACN-tert-butyl-N',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-6-13(7-2)10(15)8-9(14)12-11(3,4)5/h6-8H2,1-5H3,(H,12,14)
InChIKeyDGPBCKWEQFRPLW-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.16
Rot. Bonds4

About N-tert-butyl-N',N'-diethylpropanediamide

N-tert-butyl-N',N'-diethylpropanediamide (PubChem CID 108951053) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-tert-butyl-N',N'-diethylpropanediamide.

Molecular Properties

Compound NameN-tert-butyl-N',N'-diethylpropanediamide
PubChem CID108951053
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-tert-butyl-N',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-6-13(7-2)10(15)8-9(14)12-11(3,4)5/h6-8H2,1-5H3,(H,12,14)
InChIKeyDGPBCKWEQFRPLW-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butyl-N',N'-diethylpropanediamide?
The IUPAC name of N-tert-butyl-N',N'-diethylpropanediamide (CID 108951053) is N-tert-butyl-N',N'-diethylpropanediamide.
What is the SMILES notation for N-tert-butyl-N',N'-diethylpropanediamide?
The canonical SMILES for N-tert-butyl-N',N'-diethylpropanediamide is CCN(CC)C(=O)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',N'-diethylpropanediamide?
The InChIKey is DGPBCKWEQFRPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-6-13(7-2)10(15)8-9(14)12-11(3,4)5/h6-8H2,1-5H3,(H,12,14).
What are the key properties of N-tert-butyl-N',N'-diethylpropanediamide?
N-tert-butyl-N',N'-diethylpropanediamide has a molecular weight of 214.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',N'-diethylpropanediamide is sourced from PubChem (CID 108951053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).