1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

C28H32N4O5 — CID 166930643

IUPAC1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CCC2C(C)C)C1=O
InChIInChI=1S/C28H32N4O5/c1-17(2)23-11-8-18-6-4-5-7-20(18)15-31(23)24(33)16-32-25(34)28(37-27(32)36)13-12-19-14-21(9-10-22(19)28)30-26(35)29-3/h4-7,9-10,14,17,23H,8,11-13,15-16H2,1-3H3,(H2,29,30,35)/t23?,28-/m1/s1
InChIKeyDWEARXWGIZTRSX-GBAZGAGXSA-N
MW504.59 g/mol
LogP3.56
Rot. Bonds4

About 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea

1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (PubChem CID 166930643) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
PubChem CID166930643
Molecular FormulaC28H32N4O5
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC Name1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CCC2C(C)C)C1=O
InChIInChI=1S/C28H32N4O5/c1-17(2)23-11-8-18-6-4-5-7-20(18)15-31(23)24(33)16-32-25(34)28(37-27(32)36)13-12-19-14-21(9-10-22(19)28)30-26(35)29-3/h4-7,9-10,14,17,23H,8,11-13,15-16H2,1-3H3,(H2,29,30,35)/t23?,28-/m1/s1
InChIKeyDWEARXWGIZTRSX-GBAZGAGXSA-N
XLogP3.56
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The IUPAC name of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea (CID 166930643) is 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea.
What is the SMILES notation for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The canonical SMILES for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N2Cc3ccccc3CCC2C(C)C)C1=O.
What is the InChIKey of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
The InChIKey is DWEARXWGIZTRSX-GBAZGAGXSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-17(2)23-11-8-18-6-4-5-7-20(18)15-31(23)24(33)16-32-25(34)28(37-27(32)36)13-12-19-14-21(9-10-22(19)28)30-26(35)29-3/h4-7,9-10,14,17,23H,8,11-13,15-16H2,1-3H3,(H2,29,30,35)/t23?,28-/m1/s1.
What are the key properties of 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea?
1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea has a molecular weight of 504.59 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2,4-dioxo-3-[2-oxo-2-(3-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]spiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea is sourced from PubChem (CID 166930643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).