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

C25H29N3O4 — CID 2141003

IUPACN-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1OC
InChIInChI=1S/C25H29N3O4/c1-31-20-13-12-19(16-21(20)32-2)26-22(29)17-28-24(30)23(18-10-6-5-7-11-18)27-25(28)14-8-3-4-9-15-25/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,26,29)
InChIKeyQNHHVXCPKQSTPZ-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.02
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide (PubChem CID 2141003) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
PubChem CID2141003
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1OC
InChIInChI=1S/C25H29N3O4/c1-31-20-13-12-19(16-21(20)32-2)26-22(29)17-28-24(30)23(18-10-6-5-7-11-18)27-25(28)14-8-3-4-9-15-25/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,26,29)
InChIKeyQNHHVXCPKQSTPZ-UHFFFAOYSA-N
XLogP4.02
TPSA80.23 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide (CID 2141003) is N-(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 N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide?
The InChIKey is QNHHVXCPKQSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-31-20-13-12-19(16-21(20)32-2)26-22(29)17-28-24(30)23(18-10-6-5-7-11-18)27-25(28)14-8-3-4-9-15-25/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide?
N-(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 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)acetamide is sourced from PubChem (CID 2141003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).