N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide

C16H26N4O3 — CID 56749581

IUPACN-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide
SMILESO=C(NC1CCCCC1)C(=O)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C16H26N4O3/c21-13(19-12-4-2-1-3-5-12)14(22)20-10-6-16(7-11-20)15(23)17-8-9-18-16/h12,18H,1-11H2,(H,17,23)(H,19,21)
InChIKeyYKKYCXQRWRXPPL-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.48
Rot. Bonds1

About N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide

N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide (PubChem CID 56749581) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide
PubChem CID56749581
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide
SMILESO=C(NC1CCCCC1)C(=O)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C16H26N4O3/c21-13(19-12-4-2-1-3-5-12)14(22)20-10-6-16(7-11-20)15(23)17-8-9-18-16/h12,18H,1-11H2,(H,17,23)(H,19,21)
InChIKeyYKKYCXQRWRXPPL-UHFFFAOYSA-N
XLogP-0.48
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-oxo-2-piperidin-1-ylacetamide
CID 2288056
2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
CID 108504369
2-(4-acetylpiperazin-1-yl)-N-cyclododecyl-2-oxoacetamide
CID 108508318
2-(azetidin-1-yl)-N-cyclobutyl-2-oxoacetamide
CID 131176582
N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520617
2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
CID 108517344
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945
N-cycloheptyl-3-oxopiperazine-1-carboxamide
CID 119103460
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
N-cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503876
N-cyclohexyl-2-(3-methyl-2-oxopiperazin-1-yl)acetamide
CID 63608173

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide (CID 56749581) is N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide is O=C(NC1CCCCC1)C(=O)N1CCC2(CC1)NCCNC2=O.
What is the InChIKey of N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide?
The InChIKey is YKKYCXQRWRXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-13(19-12-4-2-1-3-5-12)14(22)20-10-6-16(7-11-20)15(23)17-8-9-18-16/h12,18H,1-11H2,(H,17,23)(H,19,21).
What are the key properties of N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide?
N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxo-2-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)acetamide is sourced from PubChem (CID 56749581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).