(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

About (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 7168399) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name	(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID	7168399
Molecular Formula	C24H23N3O3
Molecular Weight	401.47 g/mol
Exact Mass	401.17
IUPAC Name	(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILES	CCc1cccc2c(C(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)c[nH]c12
InChI	InChI=1S/C24H23N3O3/c1-2-15-8-5-10-17-18(13-25-21(15)17)20(28)14-27-22(29)24(26-23(27)30)12-6-9-16-7-3-4-11-19(16)24/h3-5,7-8,10-11,13,25H,2,6,9,12,14H2,1H3,(H,26,30)/t24-/m0/s1
InChIKey	LELUTDLATDGDDU-DEOSSOPVSA-N
XLogP	3.70
TPSA	82.27 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
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 (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 7168399) is (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is CCc1cccc2c(C(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)c[nH]c12.

What is the InChIKey of (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

The InChIKey is LELUTDLATDGDDU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-15-8-5-10-17-18(13-25-21(15)17)20(28)14-27-22(29)24(26-23(27)30)12-6-9-16-7-3-4-11-19(16)24/h3-5,7-8,10-11,13,25H,2,6,9,12,14H2,1H3,(H,26,30)/t24-/m0/s1.

What are the key properties of (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?

(4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 401.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3'-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 7168399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).