1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea

C25H26N4O6 — CID 146205000

IUPAC1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea
SMILESCNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2Cc3ccccc3OC[C@H]2C)C1=O
InChIInChI=1S/C25H26N4O6/c1-15-14-34-20-6-4-3-5-17(20)12-28(15)21(30)13-29-22(31)25(35-24(29)33)10-9-16-11-18(7-8-19(16)25)27-23(32)26-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H2,26,27,32)/t15-,25?/m1/s1
InChIKeyOGDOIKNJDBANQY-FXBVVIMESA-N
MW478.51 g/mol
LogP2.37
Rot. Bonds3

About 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea

1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea (PubChem CID 146205000) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea
PubChem CID146205000
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea
SMILESCNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2Cc3ccccc3OC[C@H]2C)C1=O
InChIInChI=1S/C25H26N4O6/c1-15-14-34-20-6-4-3-5-17(20)12-28(15)21(30)13-29-22(31)25(35-24(29)33)10-9-16-11-18(7-8-19(16)25)27-23(32)26-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H2,26,27,32)/t15-,25?/m1/s1
InChIKeyOGDOIKNJDBANQY-FXBVVIMESA-N
XLogP2.37
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea?
The IUPAC name of 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea (CID 146205000) is 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea.
What is the SMILES notation for 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea?
The canonical SMILES for 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea is CNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N2Cc3ccccc3OC[C@H]2C)C1=O.
What is the InChIKey of 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea?
The InChIKey is OGDOIKNJDBANQY-FXBVVIMESA-N. The full InChI is InChI=1S/C25H26N4O6/c1-15-14-34-20-6-4-3-5-17(20)12-28(15)21(30)13-29-22(31)25(35-24(29)33)10-9-16-11-18(7-8-19(16)25)27-23(32)26-2/h3-8,11,15H,9-10,12-14H2,1-2H3,(H2,26,27,32)/t15-,25?/m1/s1.
What are the key properties of 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea?
1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea has a molecular weight of 478.51 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[2-[(3R)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]urea is sourced from PubChem (CID 146205000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).