N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

C21H26N4O4 — CID 24683139

IUPACN-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H26N4O4/c26-17(9-12-25-19(28)21(24-20(25)29)10-1-2-11-21)22-13-14-3-7-16(8-4-14)23-18(27)15-5-6-15/h3-4,7-8,15H,1-2,5-6,9-13H2,(H,22,26)(H,23,27)(H,24,29)
InChIKeyYQIRQVLPIYZSCJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.91
Rot. Bonds7

About N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 24683139) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID24683139
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H26N4O4/c26-17(9-12-25-19(28)21(24-20(25)29)10-1-2-11-21)22-13-14-3-7-16(8-4-14)23-18(27)15-5-6-15/h3-4,7-8,15H,1-2,5-6,9-13H2,(H,22,26)(H,23,27)(H,24,29)
InChIKeyYQIRQVLPIYZSCJ-UHFFFAOYSA-N
XLogP1.91
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 24683139) is N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is YQIRQVLPIYZSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-17(9-12-25-19(28)21(24-20(25)29)10-1-2-11-21)22-13-14-3-7-16(8-4-14)23-18(27)15-5-6-15/h3-4,7-8,15H,1-2,5-6,9-13H2,(H,22,26)(H,23,27)(H,24,29).
What are the key properties of N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 398.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24683139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).