N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

C20H29N3O3 — CID 72932853

IUPACN-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESC/C=C(\C)CN1C[C@H](NC(=O)CN2CCCC2=O)[C@@H](c2ccc(C)o2)C1
InChIInChI=1S/C20H29N3O3/c1-4-14(2)10-22-11-16(18-8-7-15(3)26-18)17(12-22)21-19(24)13-23-9-5-6-20(23)25/h4,7-8,16-17H,5-6,9-13H2,1-3H3,(H,21,24)/b14-4+/t16-,17-/m0/s1
InChIKeyFONIIQHTDCOITB-UFUBCTGOSA-N
MW359.47 g/mol
LogP2.06
Rot. Bonds6

About N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 72932853) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID72932853
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESC/C=C(\C)CN1C[C@H](NC(=O)CN2CCCC2=O)[C@@H](c2ccc(C)o2)C1
InChIInChI=1S/C20H29N3O3/c1-4-14(2)10-22-11-16(18-8-7-15(3)26-18)17(12-22)21-19(24)13-23-9-5-6-20(23)25/h4,7-8,16-17H,5-6,9-13H2,1-3H3,(H,21,24)/b14-4+/t16-,17-/m0/s1
InChIKeyFONIIQHTDCOITB-UFUBCTGOSA-N
XLogP2.06
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 72932853) is N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is C/C=C(\C)CN1C[C@H](NC(=O)CN2CCCC2=O)[C@@H](c2ccc(C)o2)C1.
What is the InChIKey of N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is FONIIQHTDCOITB-UFUBCTGOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-14(2)10-22-11-16(18-8-7-15(3)26-18)17(12-22)21-19(24)13-23-9-5-6-20(23)25/h4,7-8,16-17H,5-6,9-13H2,1-3H3,(H,21,24)/b14-4+/t16-,17-/m0/s1.
What are the key properties of N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 72932853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).