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

C22H23N3O4 — CID 4029260

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C22H23N3O4/c1-29-18-11-5-3-8-16(18)13-23-19(26)14-25-20(27)22(24-21(25)28)12-6-9-15-7-2-4-10-17(15)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,23,26)(H,24,28)
InChIKeyJLRZMPDLNQWRAH-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.10
Rot. Bonds5

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

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 4029260) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID4029260
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C22H23N3O4/c1-29-18-11-5-3-8-16(18)13-23-19(26)14-25-20(27)22(24-21(25)28)12-6-9-15-7-2-4-10-17(15)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,23,26)(H,24,28)
InChIKeyJLRZMPDLNQWRAH-UHFFFAOYSA-N
XLogP2.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.10
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 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 4029260) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is JLRZMPDLNQWRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-18-11-5-3-8-16(18)13-23-19(26)14-25-20(27)22(24-21(25)28)12-6-9-15-7-2-4-10-17(15)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4029260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).