(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C28H27N3O4 — CID 32518558

IUPAC(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O
InChIInChI=1S/C28H27N3O4/c1-35-20-12-13-23-18(15-20)7-6-14-28(23)26(33)31(27(34)29-28)17-19(32)16-30-24-10-4-2-8-21(24)22-9-3-5-11-25(22)30/h2-5,8-13,15,19,32H,6-7,14,16-17H2,1H3,(H,29,34)/t19-,28+/m0/s1
InChIKeyZJEVWJKCZIPKMH-HMILPKGGSA-N
MW469.54 g/mol
LogP3.95
Rot. Bonds5

About (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 32518558) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID32518558
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O
InChIInChI=1S/C28H27N3O4/c1-35-20-12-13-23-18(15-20)7-6-14-28(23)26(33)31(27(34)29-28)17-19(32)16-30-24-10-4-2-8-21(24)22-9-3-5-11-25(22)30/h2-5,8-13,15,19,32H,6-7,14,16-17H2,1H3,(H,29,34)/t19-,28+/m0/s1
InChIKeyZJEVWJKCZIPKMH-HMILPKGGSA-N
XLogP3.95
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 32518558) is (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O.
What is the InChIKey of (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is ZJEVWJKCZIPKMH-HMILPKGGSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-35-20-12-13-23-18(15-20)7-6-14-28(23)26(33)31(27(34)29-28)17-19(32)16-30-24-10-4-2-8-21(24)22-9-3-5-11-25(22)30/h2-5,8-13,15,19,32H,6-7,14,16-17H2,1H3,(H,29,34)/t19-,28+/m0/s1.
What are the key properties of (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 469.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 32518558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).