4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide

C20H27N3O5 — CID 18268474

IUPAC4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC
InChIInChI=1S/C20H27N3O5/c1-3-4-12-28-15-9-8-14(13-16(15)27-2)17(24)22-23-18(25)20(21-19(23)26)10-6-5-7-11-20/h8-9,13H,3-7,10-12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyCNNJKQXNRRNLGG-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.77
Rot. Bonds7

About 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide

4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide (PubChem CID 18268474) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide
PubChem CID18268474
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC
InChIInChI=1S/C20H27N3O5/c1-3-4-12-28-15-9-8-14(13-16(15)27-2)17(24)22-23-18(25)20(21-19(23)26)10-6-5-7-11-20/h8-9,13H,3-7,10-12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyCNNJKQXNRRNLGG-UHFFFAOYSA-N
XLogP2.77
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3,4,5-trimethoxybenzamide
CID 8873673
3-chloro-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4,5-dimethoxybenzamide
CID 27532791
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27532971
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
CID 27056892
N'-(4-butoxy-3-methoxybenzoyl)-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 25442206
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 24557174
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
CID 8873646
6-methoxy-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 24545842

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide (CID 18268474) is 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide is CCCCOc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1OC.
What is the InChIKey of 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide?
The InChIKey is CNNJKQXNRRNLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-3-4-12-28-15-9-8-14(13-16(15)27-2)17(24)22-23-18(25)20(21-19(23)26)10-6-5-7-11-20/h8-9,13H,3-7,10-12H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide?
4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide has a molecular weight of 389.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-methoxybenzamide is sourced from PubChem (CID 18268474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).