3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H20N2O4 — CID 2092175

IUPAC3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-11(20)12-5-6-14(23-2)13(9-12)10-19-15(21)17(18-16(19)22)7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,22)
InChIKeyAXKCEADPIQNOQA-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.26
Rot. Bonds4

About 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 2092175) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID2092175
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-11(20)12-5-6-14(23-2)13(9-12)10-19-15(21)17(18-16(19)22)7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,22)
InChIKeyAXKCEADPIQNOQA-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.26
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[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 2092175) is 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is COc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is AXKCEADPIQNOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(20)12-5-6-14(23-2)13(9-12)10-19-15(21)17(18-16(19)22)7-3-4-8-17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,22).
What are the key properties of 3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(5-acetyl-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 2.26, 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[4.4]nonane-2,4-dione is sourced from PubChem (CID 2092175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).