N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

C19H23F2N3O4 — CID 2409969

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H23F2N3O4/c20-17(21)28-14-8-6-13(7-9-14)22-15(25)12-24-16(26)19(23-18(24)27)10-4-2-1-3-5-11-19/h6-9,17H,1-5,10-12H2,(H,22,25)(H,23,27)
InChIKeyUCMQOYKWOABCTG-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.26
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (PubChem CID 2409969) has the molecular formula C19H23F2N3O4 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
PubChem CID2409969
Molecular FormulaC19H23F2N3O4
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H23F2N3O4/c20-17(21)28-14-8-6-13(7-9-14)22-15(25)12-24-16(26)19(23-18(24)27)10-4-2-1-3-5-11-19/h6-9,17H,1-5,10-12H2,(H,22,25)(H,23,27)
InChIKeyUCMQOYKWOABCTG-UHFFFAOYSA-N
XLogP3.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180851
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093728
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711300
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579576
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093828
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide (CID 2409969) is N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
The InChIKey is UCMQOYKWOABCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O4/c20-17(21)28-14-8-6-13(7-9-14)22-15(25)12-24-16(26)19(23-18(24)27)10-4-2-1-3-5-11-19/h6-9,17H,1-5,10-12H2,(H,22,25)(H,23,27).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide has a molecular weight of 395.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide is sourced from PubChem (CID 2409969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).