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

C12H24N4O — CID 55064163

IUPAC2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H24N4O/c1-3-14-11(17)9(2)15-12(13)16-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,17)(H3,13,15,16)
InChIKeyOBIOFLDZJKGVSV-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds4

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

2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide (PubChem CID 55064163) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide
PubChem CID55064163
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H24N4O/c1-3-14-11(17)9(2)15-12(13)16-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,17)(H3,13,15,16)
InChIKeyOBIOFLDZJKGVSV-UHFFFAOYSA-N
XLogP0.75
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide (CID 55064163) is 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide?
The InChIKey is OBIOFLDZJKGVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-14-11(17)9(2)15-12(13)16-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,14,17)(H3,13,15,16).
What are the key properties of 2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide?
2-[(N'-cyclohexylcarbamimidoyl)amino]-N-ethylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.75, 4 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-ethylpropanamide is sourced from PubChem (CID 55064163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).