1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione

C17H18N4O5 — CID 56895730

IUPAC1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione
SMILESCN1CC2(CCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C2)OC1=O
InChIInChI=1S/C17H18N4O5/c1-19-9-17(26-16(19)25)6-7-20(10-17)14(23)11-2-4-12(5-3-11)21-8-13(22)18-15(21)24/h2-5H,6-10H2,1H3,(H,18,22,24)
InChIKeyKNDSJVROAQUTHF-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.41
Rot. Bonds2

About 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione

1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione (PubChem CID 56895730) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione
PubChem CID56895730
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione
SMILESCN1CC2(CCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C2)OC1=O
InChIInChI=1S/C17H18N4O5/c1-19-9-17(26-16(19)25)6-7-20(10-17)14(23)11-2-4-12(5-3-11)21-8-13(22)18-15(21)24/h2-5H,6-10H2,1H3,(H,18,22,24)
InChIKeyKNDSJVROAQUTHF-UHFFFAOYSA-N
XLogP0.41
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-methyl-9-(4-pyrrolidin-1-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99976442
(5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 126442350
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
(5S)-7-(1-tert-butylpyrrole-3-carbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95716743
1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72881128
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879
7-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892927
3-methyl-9-[4-(1H-pyrazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56889982
(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 97119960
(5S)-3-methyl-7-(2-pyridin-3-ylpyrimidine-5-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95719362
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
(5R)-9-(3,4-dihydro-2H-chromene-6-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 125174105

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione (CID 56895730) is 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione is CN1CC2(CCN(C(=O)c3ccc(N4CC(=O)NC4=O)cc3)C2)OC1=O.
What is the InChIKey of 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is KNDSJVROAQUTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-19-9-17(26-16(19)25)6-7-20(10-17)14(23)11-2-4-12(5-3-11)21-8-13(22)18-15(21)24/h2-5H,6-10H2,1H3,(H,18,22,24).
What are the key properties of 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione?
1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 358.35 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56895730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).