N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide

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

N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide (PubChem CID 2705995) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide.

Molecular Properties

Compound Name	N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
PubChem CID	2705995
Molecular Formula	C22H23N3O3
Molecular Weight	377.44 g/mol
Exact Mass	377.17
IUPAC Name	N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
SMILES	CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O
InChI	InChI=1S/C22H23N3O3/c1-24(14-16-8-3-2-4-9-16)19(26)15-25-20(27)22(23-21(25)28)13-7-11-17-10-5-6-12-18(17)22/h2-6,8-10,12H,7,11,13-15H2,1H3,(H,23,28)/t22-/m0/s1
InChIKey	MZRZPUSKPJCUPC-QFIPXVFZSA-N
XLogP	2.43
TPSA	69.72 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide?

The IUPAC name of N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide (CID 2705995) is N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide.

What is the SMILES notation for N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide?

The canonical SMILES for N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O.

What is the InChIKey of N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide?

The InChIKey is MZRZPUSKPJCUPC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24(14-16-8-3-2-4-9-16)19(26)15-25-20(27)22(23-21(25)28)13-7-11-17-10-5-6-12-18(17)22/h2-6,8-10,12H,7,11,13-15H2,1H3,(H,23,28)/t22-/m0/s1.

What are the key properties of N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide?

N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide has a molecular weight of 377.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide is sourced from PubChem (CID 2705995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).