N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide

C16H29N3O3 — CID 134915207

IUPACN-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C16H29N3O3/c1-4-12(5-2)14(20)17-15(21)18-16(22)19(6-3)13-10-8-7-9-11-13/h12-13H,4-11H2,1-3H3,(H2,17,18,20,21,22)
InChIKeyGDXZXIOYHJYAGS-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.02
Rot. Bonds5

About N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide

N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide (PubChem CID 134915207) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide
PubChem CID134915207
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C16H29N3O3/c1-4-12(5-2)14(20)17-15(21)18-16(22)19(6-3)13-10-8-7-9-11-13/h12-13H,4-11H2,1-3H3,(H2,17,18,20,21,22)
InChIKeyGDXZXIOYHJYAGS-UHFFFAOYSA-N
XLogP3.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide?
The IUPAC name of N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide (CID 134915207) is N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide?
The canonical SMILES for N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide is CCC(CC)C(=O)NC(=O)NC(=O)N(CC)C1CCCCC1.
What is the InChIKey of N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide?
The InChIKey is GDXZXIOYHJYAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-4-12(5-2)14(20)17-15(21)18-16(22)19(6-3)13-10-8-7-9-11-13/h12-13H,4-11H2,1-3H3,(H2,17,18,20,21,22).
What are the key properties of N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide?
N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide is sourced from PubChem (CID 134915207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).