2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide

C13H26N4O — CID 55064162

IUPAC2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H26N4O/c1-3-9-15-12(18)10(2)16-13(14)17-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeyCURQSCZUYBTLMY-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.14
Rot. Bonds5

About 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide

2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide (PubChem CID 55064162) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide
PubChem CID55064162
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H26N4O/c1-3-9-15-12(18)10(2)16-13(14)17-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,15,18)(H3,14,16,17)
InChIKeyCURQSCZUYBTLMY-UHFFFAOYSA-N
XLogP1.14
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide 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 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide (CID 55064162) is 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide?
The InChIKey is CURQSCZUYBTLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-9-15-12(18)10(2)16-13(14)17-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,15,18)(H3,14,16,17).
What are the key properties of 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide?
2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide has a molecular weight of 254.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-propylpropanamide is sourced from PubChem (CID 55064162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).