3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide

C11H23N3O2 — CID 103824126

IUPAC3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
SMILESCCN(CC)C(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C11H23N3O2/c1-6-14(7-2)10(16)13-8-11(3,4)9(15)12-5/h6-8H2,1-5H3,(H,12,15)(H,13,16)
InChIKeyONMAADGVIUUAIH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.81
Rot. Bonds5

About 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide

3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide (PubChem CID 103824126) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
PubChem CID103824126
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
SMILESCCN(CC)C(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C11H23N3O2/c1-6-14(7-2)10(16)13-8-11(3,4)9(15)12-5/h6-8H2,1-5H3,(H,12,15)(H,13,16)
InChIKeyONMAADGVIUUAIH-UHFFFAOYSA-N
XLogP0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide (CID 103824126) is 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide is CCN(CC)C(=O)NCC(C)(C)C(=O)NC.
What is the InChIKey of 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide?
The InChIKey is ONMAADGVIUUAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-6-14(7-2)10(16)13-8-11(3,4)9(15)12-5/h6-8H2,1-5H3,(H,12,15)(H,13,16).
What are the key properties of 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide?
3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide has a molecular weight of 229.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).