3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C21H26N4O5 — CID 42395709

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1N1CCCC1=O
InChIInChI=1S/C21H26N4O5/c1-30-16-13-14(6-7-15(16)24-11-4-5-18(24)27)22-17(26)8-12-25-19(28)21(23-20(25)29)9-2-3-10-21/h6-7,13H,2-5,8-12H2,1H3,(H,22,26)(H,23,29)
InChIKeyHTMGWPKWDZAUMM-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.02
Rot. Bonds6

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 42395709) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID42395709
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1N1CCCC1=O
InChIInChI=1S/C21H26N4O5/c1-30-16-13-14(6-7-15(16)24-11-4-5-18(24)27)22-17(26)8-12-25-19(28)21(23-20(25)29)9-2-3-10-21/h6-7,13H,2-5,8-12H2,1H3,(H,22,26)(H,23,29)
InChIKeyHTMGWPKWDZAUMM-UHFFFAOYSA-N
XLogP2.02
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
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CID 62232072
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
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CID 2622661
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18140046
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CID 17446493
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 51317962
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CID 32609722
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 9467840
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589612

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 42395709) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is COc1cc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1N1CCCC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is HTMGWPKWDZAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-30-16-13-14(6-7-15(16)24-11-4-5-18(24)27)22-17(26)8-12-25-19(28)21(23-20(25)29)9-2-3-10-21/h6-7,13H,2-5,8-12H2,1H3,(H,22,26)(H,23,29).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 414.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 42395709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).