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

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

N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide (PubChem CID 41136102) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name	N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide
PubChem CID	41136102
Molecular Formula	C24H25N3O4
Molecular Weight	419.48 g/mol
Exact Mass	419.18
IUPAC Name	N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide
SMILES	CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1
InChI	InChI=1S/C24H25N3O4/c1-15(2)21(29)25-18-11-9-17(10-12-18)20(28)14-27-22(30)24(26-23(27)31)13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,25,29)(H,26,31)/t24-/m0/s1
InChIKey	YWWCOEVZXQVNHH-DEOSSOPVSA-N
XLogP	3.25
TPSA	95.58 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.48
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
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 N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide?

The IUPAC name of N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide (CID 41136102) is N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide.

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

The canonical SMILES for N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1.

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

The InChIKey is YWWCOEVZXQVNHH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15(2)21(29)25-18-11-9-17(10-12-18)20(28)14-27-22(30)24(26-23(27)31)13-5-7-16-6-3-4-8-19(16)24/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,25,29)(H,26,31)/t24-/m0/s1.

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

N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide has a molecular weight of 419.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 41136102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).