N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

C17H21N3O4 — CID 5033862

IUPACN-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C17H21N3O4/c1-3-11(2)18-14(21)10-20-15(22)17(19-16(20)23)8-9-24-13-7-5-4-6-12(13)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyPYEVMJJSZUGTRB-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.13
Rot. Bonds4

About N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 5033862) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID5033862
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O
InChIInChI=1S/C17H21N3O4/c1-3-11(2)18-14(21)10-20-15(22)17(19-16(20)23)8-9-24-13-7-5-4-6-12(13)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyPYEVMJJSZUGTRB-UHFFFAOYSA-N
XLogP1.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide (CID 5033862) is N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide is CCC(C)NC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O.
What is the InChIKey of N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is PYEVMJJSZUGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-11(2)18-14(21)10-20-15(22)17(19-16(20)23)8-9-24-13-7-5-4-6-12(13)17/h4-7,11H,3,8-10H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 5033862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).