N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide

C16H18N4O4 — CID 36871410

IUPACN-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C16H18N4O4/c1-10(21)17-12-4-2-11(3-5-12)13(22)20-8-6-16(7-9-20)14(23)18-15(24)19-16/h2-5H,6-9H2,1H3,(H,17,21)(H2,18,19,23,24)
InChIKeyRLJBRGWDAVMMEZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.46
Rot. Bonds2

About N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide

N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide (PubChem CID 36871410) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
PubChem CID36871410
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C16H18N4O4/c1-10(21)17-12-4-2-11(3-5-12)13(22)20-8-6-16(7-9-20)14(23)18-15(24)19-16/h2-5H,6-9H2,1H3,(H,17,21)(H2,18,19,23,24)
InChIKeyRLJBRGWDAVMMEZ-UHFFFAOYSA-N
XLogP0.46
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963106
8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 51128402
8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60709573
2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 138005736
3-bromo-N-[3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]benzamide
CID 71685247
8-[3-(4-fluorophenyl)but-2-enoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154775335
6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388
5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 24659198
8-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 24608682
8-(5-bromothiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017586
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide (CID 36871410) is N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1.
What is the InChIKey of N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide?
The InChIKey is RLJBRGWDAVMMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10(21)17-12-4-2-11(3-5-12)13(22)20-8-6-16(7-9-20)14(23)18-15(24)19-16/h2-5H,6-9H2,1H3,(H,17,21)(H2,18,19,23,24).
What are the key properties of N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide?
N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide has a molecular weight of 330.34 g/mol, XLogP of 0.46, 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-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide is sourced from PubChem (CID 36871410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).