[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium

C17H32N3O2+ — CID 9265087

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium
SMILESO=C(C[NH2+]C1CCCCCCC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H31N3O2/c21-16(13-18-14-9-5-2-1-3-6-10-14)20-17(22)19-15-11-7-4-8-12-15/h14-15,18H,1-13H2,(H2,19,20,21,22)/p+1
InChIKeyORXRAPPUDFDPKX-UHFFFAOYSA-O
MW310.46 g/mol
LogP1.82
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium

[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium (PubChem CID 9265087) has the molecular formula C17H32N3O2+ and a molecular weight of 310.46 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium
PubChem CID9265087
Molecular FormulaC17H32N3O2+
Molecular Weight310.46 g/mol
Exact Mass310.25
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium
SMILESO=C(C[NH2+]C1CCCCCCC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H31N3O2/c21-16(13-18-14-9-5-2-1-3-6-10-14)20-17(22)19-15-11-7-4-8-12-15/h14-15,18H,1-13H2,(H2,19,20,21,22)/p+1
InChIKeyORXRAPPUDFDPKX-UHFFFAOYSA-O
XLogP1.82
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium (CID 9265087) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium is O=C(C[NH2+]C1CCCCCCC1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium?
The InChIKey is ORXRAPPUDFDPKX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H31N3O2/c21-16(13-18-14-9-5-2-1-3-6-10-14)20-17(22)19-15-11-7-4-8-12-15/h14-15,18H,1-13H2,(H2,19,20,21,22)/p+1.
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium has a molecular weight of 310.46 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl]-cyclooctylazanium is sourced from PubChem (CID 9265087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).