N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide

C10H19N3O3 — CID 551862

IUPACN-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)N(C)C
InChIInChI=1S/C10H19N3O3/c1-5-7(6-2)8(14)11-9(15)12-10(16)13(3)4/h7H,5-6H2,1-4H3,(H2,11,12,14,15,16)
InChIKeyZTGWMOUVTMIRCO-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.93
Rot. Bonds3

About N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide

N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide (PubChem CID 551862) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide
PubChem CID551862
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)N(C)C
InChIInChI=1S/C10H19N3O3/c1-5-7(6-2)8(14)11-9(15)12-10(16)13(3)4/h7H,5-6H2,1-4H3,(H2,11,12,14,15,16)
InChIKeyZTGWMOUVTMIRCO-UHFFFAOYSA-N
XLogP0.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide?
The IUPAC name of N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide (CID 551862) is N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide.
What is the SMILES notation for N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide?
The canonical SMILES for N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide is CCC(CC)C(=O)NC(=O)NC(=O)N(C)C.
What is the InChIKey of N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide?
The InChIKey is ZTGWMOUVTMIRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-5-7(6-2)8(14)11-9(15)12-10(16)13(3)4/h7H,5-6H2,1-4H3,(H2,11,12,14,15,16).
What are the key properties of N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide?
N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide has a molecular weight of 229.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoylcarbamoyl)-2-ethylbutanamide is sourced from PubChem (CID 551862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).