N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide

C29H30N2O4 — CID 23743789

IUPACN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide
SMILESCC(C)c1ccc(N2C(=O)CC(N(C(=O)COc3ccccc3)C(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C29H30N2O4/c1-20(2)22-14-16-24(17-15-22)31-27(32)18-26(29(31)34)30(21(3)23-10-6-4-7-11-23)28(33)19-35-25-12-8-5-9-13-25/h4-17,20-21,26H,18-19H2,1-3H3
InChIKeyBBOKOTDGXUUFGG-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.11
Rot. Bonds8

About N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide (PubChem CID 23743789) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide
PubChem CID23743789
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide
SMILESCC(C)c1ccc(N2C(=O)CC(N(C(=O)COc3ccccc3)C(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C29H30N2O4/c1-20(2)22-14-16-24(17-15-22)31-27(32)18-26(29(31)34)30(21(3)23-10-6-4-7-11-23)28(33)19-35-25-12-8-5-9-13-25/h4-17,20-21,26H,18-19H2,1-3H3
InChIKeyBBOKOTDGXUUFGG-UHFFFAOYSA-N
XLogP5.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)butanamide
CID 23743830
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 23998895
[4-[3-[butanoyl(1-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23773008
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-(1-phenylethyl)acetamide
CID 23915141
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide
CID 23888447
ethyl 4-[2,5-dioxo-3-[1-phenylethyl(thiophene-2-carbonyl)amino]pyrrolidin-1-yl]benzoate
CID 23971125
N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 23887026
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxy-N-prop-2-enylacetamide
CID 23772955
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-tert-butyl-2-phenoxyacetamide
CID 23830896
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23915042
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-(1-phenylethyl)benzamide
CID 23774573
ethyl 4-[3-[cyclopropyl-(2-phenoxyacetyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23970977

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide (CID 23743789) is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide is CC(C)c1ccc(N2C(=O)CC(N(C(=O)COc3ccccc3)C(C)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide?
The InChIKey is BBOKOTDGXUUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-20(2)22-14-16-24(17-15-22)31-27(32)18-26(29(31)34)30(21(3)23-10-6-4-7-11-23)28(33)19-35-25-12-8-5-9-13-25/h4-17,20-21,26H,18-19H2,1-3H3.
What are the key properties of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide?
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide has a molecular weight of 470.57 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 23743789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).