N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide

C25H30N4O3 — CID 112775758

IUPACN-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H30N4O3/c1-18(2)29(21-13-11-20(12-14-21)26-19-9-5-3-6-10-19)22(30)17-28-23(31)25(27-24(28)32)15-7-4-8-16-25/h3,5-6,9-14,18,26H,4,7-8,15-17H2,1-2H3,(H,27,32)
InChIKeyCVVYCQKDQZIUMP-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.43
Rot. Bonds6

About N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide

N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide (PubChem CID 112775758) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
PubChem CID112775758
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C25H30N4O3/c1-18(2)29(21-13-11-20(12-14-21)26-19-9-5-3-6-10-19)22(30)17-28-23(31)25(27-24(28)32)15-7-4-8-16-25/h3,5-6,9-14,18,26H,4,7-8,15-17H2,1-2H3,(H,27,32)
InChIKeyCVVYCQKDQZIUMP-UHFFFAOYSA-N
XLogP4.43
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.43
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-anilinophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 40781626
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-phenyl-N-propan-2-ylacetamide
CID 84601405
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 9437310
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 7179645
2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 95166323
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 42964360
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7609905
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 2583608
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16545006
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide (CID 112775758) is N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide is CC(C)N(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
The InChIKey is CVVYCQKDQZIUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18(2)29(21-13-11-20(12-14-21)26-19-9-5-3-6-10-19)22(30)17-28-23(31)25(27-24(28)32)15-7-4-8-16-25/h3,5-6,9-14,18,26H,4,7-8,15-17H2,1-2H3,(H,27,32).
What are the key properties of N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide?
N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide has a molecular weight of 434.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 112775758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).