N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide

C12H23N3O3 — CID 11971850

IUPACN-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)N(CC)CC
InChIInChI=1S/C12H23N3O3/c1-5-9(6-2)10(16)13-11(17)14-12(18)15(7-3)8-4/h9H,5-8H2,1-4H3,(H2,13,14,16,17,18)
InChIKeyALCCRGAWABKOTJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.71
Rot. Bonds5

About N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide

N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide (PubChem CID 11971850) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide
PubChem CID11971850
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)N(CC)CC
InChIInChI=1S/C12H23N3O3/c1-5-9(6-2)10(16)13-11(17)14-12(18)15(7-3)8-4/h9H,5-8H2,1-4H3,(H2,13,14,16,17,18)
InChIKeyALCCRGAWABKOTJ-UHFFFAOYSA-N
XLogP1.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide?
The IUPAC name of N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide (CID 11971850) is N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide.
What is the SMILES notation for N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide?
The canonical SMILES for N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide is CCC(CC)C(=O)NC(=O)NC(=O)N(CC)CC.
What is the InChIKey of N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide?
The InChIKey is ALCCRGAWABKOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-9(6-2)10(16)13-11(17)14-12(18)15(7-3)8-4/h9H,5-8H2,1-4H3,(H2,13,14,16,17,18).
What are the key properties of N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide?
N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide has a molecular weight of 257.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylcarbamoylcarbamoyl)-2-ethylbutanamide is sourced from PubChem (CID 11971850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).