[(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate

C23H25N3O7 — CID 91288811

IUPAC[(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
SMILESCc1ccc(C=CC(=O)N2C[C@H](O)C[C@H]2OC(=O)Nc2ccc(N3CCOCC3=O)cc2)o1
InChIInChI=1S/C23H25N3O7/c1-15-2-7-19(32-15)8-9-20(28)26-13-18(27)12-22(26)33-23(30)24-16-3-5-17(6-4-16)25-10-11-31-14-21(25)29/h2-9,18,22,27H,10-14H2,1H3,(H,24,30)/t18-,22-/m1/s1
InChIKeyQJMBQRHFZRMQAD-XMSQKQJNSA-N
MW455.47 g/mol
LogP2.13
Rot. Bonds5

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

[(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate (PubChem CID 91288811) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is [(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Name[(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
PubChem CID91288811
Molecular FormulaC23H25N3O7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC Name[(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
SMILESCc1ccc(C=CC(=O)N2C[C@H](O)C[C@H]2OC(=O)Nc2ccc(N3CCOCC3=O)cc2)o1
InChIInChI=1S/C23H25N3O7/c1-15-2-7-19(32-15)8-9-20(28)26-13-18(27)12-22(26)33-23(30)24-16-3-5-17(6-4-16)25-10-11-31-14-21(25)29/h2-9,18,22,27H,10-14H2,1H3,(H,24,30)/t18-,22-/m1/s1
InChIKeyQJMBQRHFZRMQAD-XMSQKQJNSA-N
XLogP2.13
TPSA121.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4R)-4-hydroxy-1-(5-phenylpenta-2,4-dienoyl)pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 90694210
[(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
[(2R,4R)-1-[3-(3,4-dichlorophenyl)prop-2-enoyl]-4-ethoxypyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 91559261
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
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
(E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 51143443
(E)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 7303051
(Z)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 99115950
(2R,4R)-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxy-1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxamide
CID 66593589
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
[1-[(4-chlorophenyl)carbamoyl]-5-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 66593201

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The IUPAC name of [(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) is [(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate.
What is the SMILES notation for [(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The canonical SMILES for [(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate is Cc1ccc(C=CC(=O)N2C[C@H](O)C[C@H]2OC(=O)Nc2ccc(N3CCOCC3=O)cc2)o1.
What is the InChIKey of [(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
The InChIKey is QJMBQRHFZRMQAD-XMSQKQJNSA-N. The full InChI is InChI=1S/C23H25N3O7/c1-15-2-7-19(32-15)8-9-20(28)26-13-18(27)12-22(26)33-23(30)24-16-3-5-17(6-4-16)25-10-11-31-14-21(25)29/h2-9,18,22,27H,10-14H2,1H3,(H,24,30)/t18-,22-/m1/s1.
What are the key properties of [(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate?
[(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate has a molecular weight of 455.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-hydroxy-1-[3-(5-methylfuran-2-yl)prop-2-enoyl]pyrrolidin-2-yl] N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate is sourced from PubChem (CID 91288811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).