N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide

C8H14N4O2 — CID 78993885

IUPACN-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCNC(N)=O
InChIInChI=1S/C8H14N4O2/c1-8(2,5-9)6(13)11-3-4-12-7(10)14/h3-4H2,1-2H3,(H,11,13)(H3,10,12,14)
InChIKeyJMLRKHYHZUDJNF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.68
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide

N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide (PubChem CID 78993885) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
PubChem CID78993885
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCNC(N)=O
InChIInChI=1S/C8H14N4O2/c1-8(2,5-9)6(13)11-3-4-12-7(10)14/h3-4H2,1-2H3,(H,11,13)(H3,10,12,14)
InChIKeyJMLRKHYHZUDJNF-UHFFFAOYSA-N
XLogP-0.68
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide (CID 78993885) is N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)NCCNC(N)=O.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide?
The InChIKey is JMLRKHYHZUDJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,5-9)6(13)11-3-4-12-7(10)14/h3-4H2,1-2H3,(H,11,13)(H3,10,12,14).
What are the key properties of N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide?
N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide has a molecular weight of 198.23 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide is sourced from PubChem (CID 78993885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).