N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide

C30H30N2O4 — CID 42367187

IUPACN-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C30H30N2O4/c33-18-17-31(21-22-7-3-1-4-8-22)27(34)19-30(20-28(35)32(29(30)36)26-15-16-26)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1-14,26,33H,15-21H2/t30-/m0/s1
InChIKeyGNPASENVBIHNRT-PMERELPUSA-N
MW482.58 g/mol
LogP3.92
Rot. Bonds9

About N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 42367187) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID42367187
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC NameN-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C30H30N2O4/c33-18-17-31(21-22-7-3-1-4-8-22)27(34)19-30(20-28(35)32(29(30)36)26-15-16-26)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1-14,26,33H,15-21H2/t30-/m0/s1
InChIKeyGNPASENVBIHNRT-PMERELPUSA-N
XLogP3.92
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide (CID 42367187) is N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide is O=C(C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is GNPASENVBIHNRT-PMERELPUSA-N. The full InChI is InChI=1S/C30H30N2O4/c33-18-17-31(21-22-7-3-1-4-8-22)27(34)19-30(20-28(35)32(29(30)36)26-15-16-26)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1-14,26,33H,15-21H2/t30-/m0/s1.
What are the key properties of N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide?
N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 482.58 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 42367187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).