N,N-dicarbamoyl-2-ethylpent-4-enamide

C9H15N3O3 — CID 24839246

IUPACN,N-dicarbamoyl-2-ethylpent-4-enamide
SMILESC=CCC(CC)C(=O)N(C(N)=O)C(N)=O
InChIInChI=1S/C9H15N3O3/c1-3-5-6(4-2)7(13)12(8(10)14)9(11)15/h3,6H,1,4-5H2,2H3,(H2,10,14)(H2,11,15)
InChIKeyHSZXALWQZVYFHE-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.57
Rot. Bonds4

About N,N-dicarbamoyl-2-ethylpent-4-enamide

N,N-dicarbamoyl-2-ethylpent-4-enamide (PubChem CID 24839246) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N,N-dicarbamoyl-2-ethylpent-4-enamide.

Molecular Properties

Compound NameN,N-dicarbamoyl-2-ethylpent-4-enamide
PubChem CID24839246
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN,N-dicarbamoyl-2-ethylpent-4-enamide
SMILESC=CCC(CC)C(=O)N(C(N)=O)C(N)=O
InChIInChI=1S/C9H15N3O3/c1-3-5-6(4-2)7(13)12(8(10)14)9(11)15/h3,6H,1,4-5H2,2H3,(H2,10,14)(H2,11,15)
InChIKeyHSZXALWQZVYFHE-UHFFFAOYSA-N
XLogP0.57
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dicarbamoyl-2-ethylpent-4-enamide?
The IUPAC name of N,N-dicarbamoyl-2-ethylpent-4-enamide (CID 24839246) is N,N-dicarbamoyl-2-ethylpent-4-enamide.
What is the SMILES notation for N,N-dicarbamoyl-2-ethylpent-4-enamide?
The canonical SMILES for N,N-dicarbamoyl-2-ethylpent-4-enamide is C=CCC(CC)C(=O)N(C(N)=O)C(N)=O.
What is the InChIKey of N,N-dicarbamoyl-2-ethylpent-4-enamide?
The InChIKey is HSZXALWQZVYFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-5-6(4-2)7(13)12(8(10)14)9(11)15/h3,6H,1,4-5H2,2H3,(H2,10,14)(H2,11,15).
What are the key properties of N,N-dicarbamoyl-2-ethylpent-4-enamide?
N,N-dicarbamoyl-2-ethylpent-4-enamide has a molecular weight of 213.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicarbamoyl-2-ethylpent-4-enamide is sourced from PubChem (CID 24839246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).