N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide

C15H16N4O4 — CID 147946816

IUPACN-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC3(C2)NC(=O)NC3=O)cc1
InChIInChI=1S/C15H16N4O4/c1-9(20)16-11-4-2-10(3-5-11)12(21)19-7-6-15(8-19)13(22)17-14(23)18-15/h2-5H,6-8H2,1H3,(H,16,20)(H2,17,18,22,23)
InChIKeyIMVATLILDOWWRT-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.07
Rot. Bonds2

About N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide

N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide (PubChem CID 147946816) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
PubChem CID147946816
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC3(C2)NC(=O)NC3=O)cc1
InChIInChI=1S/C15H16N4O4/c1-9(20)16-11-4-2-10(3-5-11)12(21)19-7-6-15(8-19)13(22)17-14(23)18-15/h2-5H,6-8H2,1H3,(H,16,20)(H2,17,18,22,23)
InChIKeyIMVATLILDOWWRT-UHFFFAOYSA-N
XLogP0.07
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide (CID 147946816) is N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC3(C2)NC(=O)NC3=O)cc1.
What is the InChIKey of N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide?
The InChIKey is IMVATLILDOWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9(20)16-11-4-2-10(3-5-11)12(21)19-7-6-15(8-19)13(22)17-14(23)18-15/h2-5H,6-8H2,1H3,(H,16,20)(H2,17,18,22,23).
What are the key properties of N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide?
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide is sourced from PubChem (CID 147946816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).