3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C18H22N2O4 — CID 2622478

IUPAC3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H22N2O4/c1-12(21)13-6-7-15(24-2)14(10-13)11-20-16(22)18(19-17(20)23)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,23)
InChIKeyBYSQSHHBSMPCON-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.65
Rot. Bonds4

About 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2622478) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2622478
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H22N2O4/c1-12(21)13-6-7-15(24-2)14(10-13)11-20-16(22)18(19-17(20)23)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,23)
InChIKeyBYSQSHHBSMPCON-UHFFFAOYSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2622478) is 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BYSQSHHBSMPCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(21)13-6-7-15(24-2)14(10-13)11-20-16(22)18(19-17(20)23)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,23).
What are the key properties of 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2622478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).