2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide

C25H29N3O4 — CID 90684855

IUPAC2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
SMILESCOc1ccc(C(C(N)=O)N2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1OC
InChIInChI=1S/C25H29N3O4/c1-31-19-13-12-18(16-20(19)32-2)22(23(26)29)28-24(30)21(17-10-6-5-7-11-17)27-25(28)14-8-3-4-9-15-25/h5-7,10-13,16,22H,3-4,8-9,14-15H2,1-2H3,(H2,26,29)
InChIKeyBNXBPVPXWLGROD-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.61
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide

2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide (PubChem CID 90684855) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
PubChem CID90684855
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
SMILESCOc1ccc(C(C(N)=O)N2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1OC
InChIInChI=1S/C25H29N3O4/c1-31-19-13-12-18(16-20(19)32-2)22(23(26)29)28-24(30)21(17-10-6-5-7-11-17)27-25(28)14-8-3-4-9-15-25/h5-7,10-13,16,22H,3-4,8-9,14-15H2,1-2H3,(H2,26,29)
InChIKeyBNXBPVPXWLGROD-UHFFFAOYSA-N
XLogP3.61
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide (CID 90684855) is 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide is COc1ccc(C(C(N)=O)N2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide?
The InChIKey is BNXBPVPXWLGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-31-19-13-12-18(16-20(19)32-2)22(23(26)29)28-24(30)21(17-10-6-5-7-11-17)27-25(28)14-8-3-4-9-15-25/h5-7,10-13,16,22H,3-4,8-9,14-15H2,1-2H3,(H2,26,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide?
2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide has a molecular weight of 435.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide is sourced from PubChem (CID 90684855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).