N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide

C14H25N3O3 — CID 566880

IUPACN-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O3/c1-3-10(4-2)12(18)16-14(20)17-13(19)15-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyJAQLESLCCXHSPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.29
Rot. Bonds4

About N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide

N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide (PubChem CID 566880) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide
PubChem CID566880
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H25N3O3/c1-3-10(4-2)12(18)16-14(20)17-13(19)15-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyJAQLESLCCXHSPE-UHFFFAOYSA-N
XLogP2.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide?
The IUPAC name of N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide (CID 566880) is N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide.
What is the SMILES notation for N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide?
The canonical SMILES for N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide is CCC(CC)C(=O)NC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide?
The InChIKey is JAQLESLCCXHSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-10(4-2)12(18)16-14(20)17-13(19)15-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide?
N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide has a molecular weight of 283.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoylcarbamoyl)-2-ethylbutanamide is sourced from PubChem (CID 566880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).