N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H21N3O5 — CID 2622634

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O5/c22-15(19-9-12-4-5-13-14(8-12)26-11-25-13)10-21-16(23)18(20-17(21)24)6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-11H2,(H,19,22)(H,20,24)
InChIKeyJEZPPBHAFNMHPZ-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.29
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2622634) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2622634
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H21N3O5/c22-15(19-9-12-4-5-13-14(8-12)26-11-25-13)10-21-16(23)18(20-17(21)24)6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-11H2,(H,19,22)(H,20,24)
InChIKeyJEZPPBHAFNMHPZ-UHFFFAOYSA-N
XLogP1.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2622634) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is JEZPPBHAFNMHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-15(19-9-12-4-5-13-14(8-12)26-11-25-13)10-21-16(23)18(20-17(21)24)6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-11H2,(H,19,22)(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2622634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).