3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H22N2O4 — CID 100677822

IUPAC3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1cccc(OCCCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O4/c1-22-13-6-4-7-14(12-13)23-11-5-10-19-15(20)17(18-16(19)21)8-2-3-9-17/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,18,21)
InChIKeyGBPDDCXBFIVQJJ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.33
Rot. Bonds6

About 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 100677822) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID100677822
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1cccc(OCCCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O4/c1-22-13-6-4-7-14(12-13)23-11-5-10-19-15(20)17(18-16(19)21)8-2-3-9-17/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,18,21)
InChIKeyGBPDDCXBFIVQJJ-UHFFFAOYSA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43365740
3-[3-(3,5-dimethylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 46824048
3-[3-(3-aminophenoxy)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755460
3-[3-(4-aminophenoxy)propyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94755473
N-[(3-butoxyphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55749311
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-[3-(5-methoxy-2-nitroanilino)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 91643459
8-ethyl-3-[2-(3-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180837
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 100677822) is 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is COc1cccc(OCCCN2C(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is GBPDDCXBFIVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-13-6-4-7-14(12-13)23-11-5-10-19-15(20)17(18-16(19)21)8-2-3-9-17/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,18,21).
What are the key properties of 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 318.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 100677822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).