N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide

C16H18N2O3 — CID 138523583

IUPACN-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
SMILESO=C(NCC1CC1)C(=O)[C@@H]1CNC(=O)[C@H]1c1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14(16(21)17-8-10-6-7-10)12-9-18-15(20)13(12)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,21)(H,18,20)/t12-,13+/m1/s1
InChIKeyFEELSVFVWLANRU-OLZOCXBDSA-N
MW286.33 g/mol
LogP0.61
Rot. Bonds5

About N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide

N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide (PubChem CID 138523583) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
PubChem CID138523583
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
SMILESO=C(NCC1CC1)C(=O)[C@@H]1CNC(=O)[C@H]1c1ccccc1
InChIInChI=1S/C16H18N2O3/c19-14(16(21)17-8-10-6-7-10)12-9-18-15(20)13(12)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,21)(H,18,20)/t12-,13+/m1/s1
InChIKeyFEELSVFVWLANRU-OLZOCXBDSA-N
XLogP0.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide (CID 138523583) is N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide is O=C(NCC1CC1)C(=O)[C@@H]1CNC(=O)[C@H]1c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is FEELSVFVWLANRU-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14(16(21)17-8-10-6-7-10)12-9-18-15(20)13(12)11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,21)(H,18,20)/t12-,13+/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-oxo-2-[(3S,4R)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 138523583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).