N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

C24H25F2N3O3 — CID 24987966

IUPACN-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOCc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C24H25F2N3O3/c1-32-15-16-5-7-17(8-6-16)22-23(31)29(24(28-22)9-3-2-4-10-24)14-21(30)27-20-12-18(25)11-19(26)13-20/h5-8,11-13H,2-4,9-10,14-15H2,1H3,(H,27,30)
InChIKeyNORVBAPGGKEFNO-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.04
Rot. Bonds6

About N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide

N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (PubChem CID 24987966) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
PubChem CID24987966
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
SMILESCOCc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(F)cc(F)c3)C2=O)cc1
InChIInChI=1S/C24H25F2N3O3/c1-32-15-16-5-7-17(8-6-16)22-23(31)29(24(28-22)9-3-2-4-10-24)14-21(30)27-20-12-18(25)11-19(26)13-20/h5-8,11-13H,2-4,9-10,14-15H2,1H3,(H,27,30)
InChIKeyNORVBAPGGKEFNO-UHFFFAOYSA-N
XLogP4.04
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide (CID 24987966) is N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is COCc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cc(F)cc(F)c3)C2=O)cc1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
The InChIKey is NORVBAPGGKEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-32-15-16-5-7-17(8-6-16)22-23(31)29(24(28-22)9-3-2-4-10-24)14-21(30)27-20-12-18(25)11-19(26)13-20/h5-8,11-13H,2-4,9-10,14-15H2,1H3,(H,27,30).
What are the key properties of N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide?
N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[2-[4-(methoxymethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide is sourced from PubChem (CID 24987966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).