N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C20H25N3O5 — CID 2125664

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H25N3O5/c24-17(21-11-14-6-7-15-16(10-14)28-13-27-15)12-23-18(25)20(22-19(23)26)8-4-2-1-3-5-9-20/h6-7,10H,1-5,8-9,11-13H2,(H,21,24)(H,22,26)
InChIKeyJXGTZYJWZDWKDW-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.07
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 2125664) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
PubChem CID2125664
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H25N3O5/c24-17(21-11-14-6-7-15-16(10-14)28-13-27-15)12-23-18(25)20(22-19(23)26)8-4-2-1-3-5-9-20/h6-7,10H,1-5,8-9,11-13H2,(H,21,24)(H,22,26)
InChIKeyJXGTZYJWZDWKDW-UHFFFAOYSA-N
XLogP2.07
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 9452818
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4882264
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7043089
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetamide
CID 40798867
3-(1,3-benzodioxol-5-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277305
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7610694
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638303
1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7240816
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7692114
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 8660038

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 2125664) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The InChIKey is JXGTZYJWZDWKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c24-17(21-11-14-6-7-15-16(10-14)28-13-27-15)12-23-18(25)20(22-19(23)26)8-4-2-1-3-5-9-20/h6-7,10H,1-5,8-9,11-13H2,(H,21,24)(H,22,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.07, 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[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 2125664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).