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

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

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 2633587) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name	2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide
PubChem CID	2633587
Molecular Formula	C16H18N4O4
Molecular Weight	330.34 g/mol
Exact Mass	330.13
IUPAC Name	2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide
SMILES	CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O
InChI	InChI=1S/C16H18N4O4/c1-17-14(23)18-12(21)9-20-13(22)16(19-15(20)24)8-4-6-10-5-2-3-7-11(10)16/h2-3,5,7H,4,6,8-9H2,1H3,(H,19,24)(H2,17,18,21,23)/t16-/m1/s1
InChIKey	XSSGKHCTTZXUIT-MRXNPFEDSA-N
XLogP	0.23
TPSA	107.61 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.34
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide (CID 2633587) is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide.

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

The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O.

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

The InChIKey is XSSGKHCTTZXUIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-17-14(23)18-12(21)9-20-13(22)16(19-15(20)24)8-4-6-10-5-2-3-7-11(10)16/h2-3,5,7H,4,6,8-9H2,1H3,(H,19,24)(H2,17,18,21,23)/t16-/m1/s1.

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

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 2633587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).