2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide

C10H19N3O3 — CID 11971856

IUPAC2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide
SMILESCCNC(=O)NC(=O)NC(=O)C(CC)CC
InChIInChI=1S/C10H19N3O3/c1-4-7(5-2)8(14)12-10(16)13-9(15)11-6-3/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15,16)
InChIKeyVIXKZCVBLXLATC-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.98
Rot. Bonds4

About 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide

2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide (PubChem CID 11971856) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide
PubChem CID11971856
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide
SMILESCCNC(=O)NC(=O)NC(=O)C(CC)CC
InChIInChI=1S/C10H19N3O3/c1-4-7(5-2)8(14)12-10(16)13-9(15)11-6-3/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15,16)
InChIKeyVIXKZCVBLXLATC-UHFFFAOYSA-N
XLogP0.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide?
The IUPAC name of 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide (CID 11971856) is 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide?
The canonical SMILES for 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide is CCNC(=O)NC(=O)NC(=O)C(CC)CC.
What is the InChIKey of 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide?
The InChIKey is VIXKZCVBLXLATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-4-7(5-2)8(14)12-10(16)13-9(15)11-6-3/h7H,4-6H2,1-3H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide?
2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide has a molecular weight of 229.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(ethylcarbamoylcarbamoyl)butanamide is sourced from PubChem (CID 11971856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).