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

C18H23N3O3 — CID 4004542

IUPACN-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C18H23N3O3/c1-3-12(2)19-15(22)11-21-16(23)18(20-17(21)24)9-8-13-6-4-5-7-14(13)10-18/h4-7,12H,3,8-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyHUHOCBLDMJJPER-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.38
Rot. Bonds4

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

N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 4004542) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID4004542
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C18H23N3O3/c1-3-12(2)19-15(22)11-21-16(23)18(20-17(21)24)9-8-13-6-4-5-7-14(13)10-18/h4-7,12H,3,8-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyHUHOCBLDMJJPER-UHFFFAOYSA-N
XLogP1.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide (CID 4004542) is N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide is CCC(C)NC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O.
What is the InChIKey of N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is HUHOCBLDMJJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-12(2)19-15(22)11-21-16(23)18(20-17(21)24)9-8-13-6-4-5-7-14(13)10-18/h4-7,12H,3,8-11H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide?
N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 4004542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).