N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide

C11H20N2O2 — CID 23452264

IUPACN,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide
SMILESC=C(C(=O)N(CC)CC)C(C)C(=O)NC
InChIInChI=1S/C11H20N2O2/c1-6-13(7-2)11(15)9(4)8(3)10(14)12-5/h8H,4,6-7H2,1-3,5H3,(H,12,14)
InChIKeyBTAODPKKACTKSO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.79
Rot. Bonds5

About N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide

N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide (PubChem CID 23452264) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide.

Molecular Properties

Compound NameN,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide
PubChem CID23452264
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide
SMILESC=C(C(=O)N(CC)CC)C(C)C(=O)NC
InChIInChI=1S/C11H20N2O2/c1-6-13(7-2)11(15)9(4)8(3)10(14)12-5/h8H,4,6-7H2,1-3,5H3,(H,12,14)
InChIKeyBTAODPKKACTKSO-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide?
The IUPAC name of N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide (CID 23452264) is N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide.
What is the SMILES notation for N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide?
The canonical SMILES for N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide is C=C(C(=O)N(CC)CC)C(C)C(=O)NC.
What is the InChIKey of N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide?
The InChIKey is BTAODPKKACTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6-13(7-2)11(15)9(4)8(3)10(14)12-5/h8H,4,6-7H2,1-3,5H3,(H,12,14).
What are the key properties of N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide?
N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide has a molecular weight of 212.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N',3-dimethyl-2-methylidenebutanediamide is sourced from PubChem (CID 23452264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).