N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide

C23H25N3O6 — CID 91908465

IUPACN-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)cc1OC
InChIInChI=1S/C23H25N3O6/c1-30-18-8-7-17(13-19(18)31-2)24-20(27)16-5-3-15(4-6-16)14-26-21(28)23(25-22(26)29)9-11-32-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyYYLQFKLEAQTENU-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.56
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide

N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide (PubChem CID 91908465) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
PubChem CID91908465
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)cc1OC
InChIInChI=1S/C23H25N3O6/c1-30-18-8-7-17(13-19(18)31-2)24-20(27)16-5-3-15(4-6-16)14-26-21(28)23(25-22(26)29)9-11-32-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyYYLQFKLEAQTENU-UHFFFAOYSA-N
XLogP2.56
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 110382704
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CID 126493303
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CID 46279477
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide (CID 91908465) is N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide is COc1ccc(NC(=O)c2ccc(CN3C(=O)NC4(CCOCC4)C3=O)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide?
The InChIKey is YYLQFKLEAQTENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-30-18-8-7-17(13-19(18)31-2)24-20(27)16-5-3-15(4-6-16)14-26-21(28)23(25-22(26)29)9-11-32-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide?
N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide has a molecular weight of 439.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide is sourced from PubChem (CID 91908465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).