N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide

C16H20N4O2 — CID 110455918

IUPACN-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NC3(CCCCC3)C(=O)NN2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(21)17-13-7-5-12(6-8-13)14-18-16(15(22)20-19-14)9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyFCPDUMJNRHDNSA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.73
Rot. Bonds2

About N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide

N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide (PubChem CID 110455918) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide
PubChem CID110455918
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NC3(CCCCC3)C(=O)NN2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(21)17-13-7-5-12(6-8-13)14-18-16(15(22)20-19-14)9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,17,21)(H,18,19)(H,20,22)
InChIKeyFCPDUMJNRHDNSA-UHFFFAOYSA-N
XLogP1.73
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9812
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
N-(4-methylphenyl)acetamide
CID 7684
N-(4-phenylphenyl)acetamide
CID 19998
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
N-[4-[5-(methylamino)pyrazin-2-yl]phenyl]acetamide
CID 138578643
N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 3057114
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide (CID 110455918) is N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=NC3(CCCCC3)C(=O)NN2)cc1.
What is the InChIKey of N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide?
The InChIKey is FCPDUMJNRHDNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(21)17-13-7-5-12(6-8-13)14-18-16(15(22)20-19-14)9-3-2-4-10-16/h5-8H,2-4,9-10H2,1H3,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide?
N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-oxo-1,3,4-triazaspiro[5.5]undec-1-en-2-yl)phenyl]acetamide is sourced from PubChem (CID 110455918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).