N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C23H28N6O4 — CID 43068730

IUPACN-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1)n1cccn1
InChIInChI=1S/C23H28N6O4/c1-16(29-13-7-12-24-29)20(31)26-18-9-6-8-17(14-18)25-19(30)15-28-21(32)23(27(2)22(28)33)10-4-3-5-11-23/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyCRKBDXCMCFMXRJ-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.62
Rot. Bonds6

About N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 43068730) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID43068730
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC NameN-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1)n1cccn1
InChIInChI=1S/C23H28N6O4/c1-16(29-13-7-12-24-29)20(31)26-18-9-6-8-17(14-18)25-19(30)15-28-21(32)23(27(2)22(28)33)10-4-3-5-11-23/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyCRKBDXCMCFMXRJ-UHFFFAOYSA-N
XLogP2.62
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 43068730) is N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1)n1cccn1.
What is the InChIKey of N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is CRKBDXCMCFMXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-16(29-13-7-12-24-29)20(31)26-18-9-6-8-17(14-18)25-19(30)15-28-21(32)23(27(2)22(28)33)10-4-3-5-11-23/h6-9,12-14,16H,3-5,10-11,15H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 452.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43068730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).