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'}

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Related Compounds

2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078
ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate
CID 55208240
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 103862154
2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
CID 64598100
N-[2-(1-adamantyl)ethyl]-2-cyano-2-methylpropanamide
CID 47230622
methyl (2S)-2-[[2-[(2-cyano-2-methylpropanoyl)amino]acetyl]amino]propanoate
CID 154717709
2-cyano-N-(3-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 65036481
2,2-difluoropropylurea
CID 123994656
2-cyano-2-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115175209
2-cyano-N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 64910829

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).