3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide

C23H30N4O4 — CID 55749749

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C23H30N4O4/c28-19(11-15-27-21(30)23(25-22(27)31)12-5-2-6-13-23)24-18(17-8-3-1-4-9-17)16-26-14-7-10-20(26)29/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,24,28)(H,25,31)
InChIKeyHOQONMWWYYPDDR-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.11
Rot. Bonds7

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide (PubChem CID 55749749) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
PubChem CID55749749
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C23H30N4O4/c28-19(11-15-27-21(30)23(25-22(27)31)12-5-2-6-13-23)24-18(17-8-3-1-4-9-17)16-26-14-7-10-20(26)29/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,24,28)(H,25,31)
InChIKeyHOQONMWWYYPDDR-UHFFFAOYSA-N
XLogP2.11
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.11
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-(3,3-dimethyl-1-phenylbutyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55689995
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94198507
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 134021260
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
CID 131919618
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 24648979
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
CID 55749883
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119719350
N-[3-oxo-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]propyl]furan-2-carboxamide
CID 55750164

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide (CID 55749749) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide is O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NC(CN1CCCC1=O)c1ccccc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide?
The InChIKey is HOQONMWWYYPDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c28-19(11-15-27-21(30)23(25-22(27)31)12-5-2-6-13-23)24-18(17-8-3-1-4-9-17)16-26-14-7-10-20(26)29/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,24,28)(H,25,31).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide has a molecular weight of 426.52 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide is sourced from PubChem (CID 55749749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).