N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H30N4O3 — CID 34947284

IUPACN-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N4O3/c1-4-24(5-2)17-11-9-16(10-12-17)22-18(26)15-25-19(27)21(23(3)20(25)28)13-7-6-8-14-21/h9-12H,4-8,13-15H2,1-3H3,(H,22,26)
InChIKeyQORGJTBZBPBITQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.07
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 34947284) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID34947284
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N4O3/c1-4-24(5-2)17-11-9-16(10-12-17)22-18(26)15-25-19(27)21(23(3)20(25)28)13-7-6-8-14-21/h9-12H,4-8,13-15H2,1-3H3,(H,22,26)
InChIKeyQORGJTBZBPBITQ-UHFFFAOYSA-N
XLogP3.07
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4793877
N-(3,4-difluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850253
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 26685423
2-chloro-N,N-diethyl-4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzamide
CID 55673171
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
N-(3-chloro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7535920
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630
N-(3,5-dichlorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850278
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 46968818
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55743446
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51251681

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 34947284) is N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCN(CC)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is QORGJTBZBPBITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-4-24(5-2)17-11-9-16(10-12-17)22-18(26)15-25-19(27)21(23(3)20(25)28)13-7-6-8-14-21/h9-12H,4-8,13-15H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 34947284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).