[(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate

C26H27N3O6 — CID 90694210

IUPAC[(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)O[C@@H]1C[C@@H](O)CN1C(=O)C=CC=Cc1ccccc1
InChIInChI=1S/C26H27N3O6/c30-22-16-25(29(17-22)23(31)9-5-4-8-19-6-2-1-3-7-19)35-26(33)27-20-10-12-21(13-11-20)28-14-15-34-18-24(28)32/h1-13,22,25,30H,14-18H2,(H,27,33)/t22-,25-/m1/s1
InChIKeyQWOVTFRPSTZDDS-RCZVLFRGSA-N
MW477.52 g/mol
LogP2.79
Rot. Bonds6

About [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate

[(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate (PubChem CID 90694210) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Name[(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
PubChem CID90694210
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name[(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(N2CCOCC2=O)cc1)O[C@@H]1C[C@@H](O)CN1C(=O)C=CC=Cc1ccccc1
InChIInChI=1S/C26H27N3O6/c30-22-16-25(29(17-22)23(31)9-5-4-8-19-6-2-1-3-7-19)35-26(33)27-20-10-12-21(13-11-20)28-14-15-34-18-24(28)32/h1-13,22,25,30H,14-18H2,(H,27,33)/t22-,25-/m1/s1
InChIKeyQWOVTFRPSTZDDS-RCZVLFRGSA-N
XLogP2.79
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 91288811
[(2R,4R)-1-[3-(3,4-dichlorophenyl)prop-2-enoyl]-4-ethoxypyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 91559261
[(2R,4R)-1-[(E)-3-(5-chlorofuran-2-yl)prop-2-enoyl]-4-ethoxypyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 67481280
tert-butyl [(2R,4R)-4-hydroxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-1-yl] carbonate
CID 68958161
3-hydroxy-N-[4-(3-oxomorpholin-4-yl)phenyl]cyclopentane-1-carboxamide
CID 78036523
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
tert-butyl 4-methylsulfinyloxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;ethane
CID 143202355
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The IUPAC name of [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate (CID 90694210) is [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate.
What is the SMILES notation for [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The canonical SMILES for [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate is O=C(Nc1ccc(N2CCOCC2=O)cc1)O[C@@H]1C[C@@H](O)CN1C(=O)C=CC=Cc1ccccc1.
What is the InChIKey of [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The InChIKey is QWOVTFRPSTZDDS-RCZVLFRGSA-N. The full InChI is InChI=1S/C26H27N3O6/c30-22-16-25(29(17-22)23(31)9-5-4-8-19-6-2-1-3-7-19)35-26(33)27-20-10-12-21(13-11-20)28-14-15-34-18-24(28)32/h1-13,22,25,30H,14-18H2,(H,27,33)/t22-,25-/m1/s1.
What are the key properties of [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
[(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate has a molecular weight of 477.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate is sourced from PubChem (CID 90694210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).