2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen

C25H31N5O6 — CID 159710579

IUPAC2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen
SMILESCCNC(=O)CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25N5O6.3H2/c1-2-26-20(31)10-19-22(33)30(17-5-3-4-6-18(17)36-19)13-21(32)27-16-8-7-14-11-25(12-15(14)9-16)23(34)28-24(35)29-25;;;/h3-9,19H,2,10-13H2,1H3,(H,26,31)(H,27,32)(H2,28,29,34,35);3*1H
InChIKeyMYUABAPNPGLUGO-UHFFFAOYSA-N
MW497.55 g/mol
LogP1.36
Rot. Bonds6

About 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen

2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen (PubChem CID 159710579) has the molecular formula C25H31N5O6 and a molecular weight of 497.55 g/mol. Its IUPAC name is 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen
PubChem CID159710579
Molecular FormulaC25H31N5O6
Molecular Weight497.55 g/mol
Exact Mass497.23
IUPAC Name2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen
SMILESCCNC(=O)CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25N5O6.3H2/c1-2-26-20(31)10-19-22(33)30(17-5-3-4-6-18(17)36-19)13-21(32)27-16-8-7-14-11-25(12-15(14)9-16)23(34)28-24(35)29-25;;;/h3-9,19H,2,10-13H2,1H3,(H,26,31)(H,27,32)(H2,28,29,34,35);3*1H
InChIKeyMYUABAPNPGLUGO-UHFFFAOYSA-N
XLogP1.36
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 51.36
H-Bond Donors ≤ 54
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 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen?
The IUPAC name of 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen (CID 159710579) is 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen.
What is the SMILES notation for 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen?
The canonical SMILES for 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen is CCNC(=O)CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)CC2(C3)NC(=O)NC2=O)C1=O.[H][H].[H][H].[H][H].
What is the InChIKey of 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen?
The InChIKey is MYUABAPNPGLUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O6.3H2/c1-2-26-20(31)10-19-22(33)30(17-5-3-4-6-18(17)36-19)13-21(32)27-16-8-7-14-11-25(12-15(14)9-16)23(34)28-24(35)29-25;;;/h3-9,19H,2,10-13H2,1H3,(H,26,31)(H,27,32)(H2,28,29,34,35);3*1H.
What are the key properties of 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen?
2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen has a molecular weight of 497.55 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]-N-ethylacetamide;molecular hydrogen is sourced from PubChem (CID 159710579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).