cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium

C13H26N3O2+ — CID 9265109

IUPACcyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)NC(=O)C[NH2+]C1CCCCCCC1
InChIInChI=1S/C13H25N3O2/c1-2-14-13(18)16-12(17)10-15-11-8-6-4-3-5-7-9-11/h11,15H,2-10H2,1H3,(H2,14,16,17,18)/p+1
InChIKeyCPKJUAILPWOPLR-UHFFFAOYSA-O
MW256.37 g/mol
LogP0.51
Rot. Bonds4

About cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium

cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 9265109) has the molecular formula C13H26N3O2+ and a molecular weight of 256.37 g/mol. Its IUPAC name is cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID9265109
Molecular FormulaC13H26N3O2+
Molecular Weight256.37 g/mol
Exact Mass256.20
IUPAC Namecyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)NC(=O)C[NH2+]C1CCCCCCC1
InChIInChI=1S/C13H25N3O2/c1-2-14-13(18)16-12(17)10-15-11-8-6-4-3-5-7-9-11/h11,15H,2-10H2,1H3,(H2,14,16,17,18)/p+1
InChIKeyCPKJUAILPWOPLR-UHFFFAOYSA-O
XLogP0.51
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2461765
2-(azepan-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
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2-[cyclohexyl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 17451459
N-cyclooctyl-2-[methyl(propan-2-yl)amino]acetamide
CID 52526040
1-Octylimidazolidine-2,4-dione
CID 3020626
1-Decylimidazolidine-2,4-dione
CID 3020627
1-Dodecyl-2,4-imidazolidinedione
CID 3020628
2-[cycloheptyl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 16577819
3-Cyclooctyl-5-methylimidazolidine-2,4-dione
CID 335476
N-(cyclopentylcarbamoyl)-2-(propylamino)acetamide
CID 2425754
2-(azocan-1-yl)-N-(ethylcarbamoyl)acetamide
CID 8583525
2-[cycloheptyl(methyl)amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 16577835

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium (CID 9265109) is cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium is CCNC(=O)NC(=O)C[NH2+]C1CCCCCCC1.
What is the InChIKey of cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is CPKJUAILPWOPLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25N3O2/c1-2-14-13(18)16-12(17)10-15-11-8-6-4-3-5-7-9-11/h11,15H,2-10H2,1H3,(H2,14,16,17,18)/p+1.
What are the key properties of cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium?
cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 256.37 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 9265109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).