N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C20H27N3O5 — CID 3322286

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1OC
InChIInChI=1S/C20H27N3O5/c1-27-15-8-7-14(11-16(15)28-2)12-21-17(24)13-23-18(25)20(22-19(23)26)9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyUOIRGUYDQUPVDH-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.96
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 3322286) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID3322286
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1OC
InChIInChI=1S/C20H27N3O5/c1-27-15-8-7-14(11-16(15)28-2)12-21-17(24)13-23-18(25)20(22-19(23)26)9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyUOIRGUYDQUPVDH-UHFFFAOYSA-N
XLogP1.96
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.96
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-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 3322286) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is COc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is UOIRGUYDQUPVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-27-15-8-7-14(11-16(15)28-2)12-21-17(24)13-23-18(25)20(22-19(23)26)9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 389.45 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 3322286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).