3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C20H24N4O5 — CID 46646435

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC1Oc2ccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cc2NC1=O
InChIInChI=1S/C20H24N4O5/c1-12-17(26)22-14-11-13(5-6-15(14)29-12)21-16(25)7-10-24-18(27)20(23-19(24)28)8-3-2-4-9-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,25)(H,22,26)(H,23,28)
InChIKeyPNWUOBYSIOKLAD-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.99
Rot. Bonds4

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 46646435) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID46646435
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC1Oc2ccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cc2NC1=O
InChIInChI=1S/C20H24N4O5/c1-12-17(26)22-14-11-13(5-6-15(14)29-12)21-16(25)7-10-24-18(27)20(23-19(24)28)8-3-2-4-9-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,25)(H,22,26)(H,23,28)
InChIKeyPNWUOBYSIOKLAD-UHFFFAOYSA-N
XLogP1.99
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
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4-amino-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119273981
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9145214
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(propan-2-ylamino)acetamide
CID 60843067
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
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CID 26783736
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-propylindol-5-yl)propanamide
CID 49498521
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CID 9145610

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 46646435) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CC1Oc2ccc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)cc2NC1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is PNWUOBYSIOKLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-12-17(26)22-14-11-13(5-6-15(14)29-12)21-16(25)7-10-24-18(27)20(23-19(24)28)8-3-2-4-9-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,25)(H,22,26)(H,23,28).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 400.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 46646435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).