N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide

C28H34N2O3 — CID 23943049

IUPACN-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
SMILESCC(C)c1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C28H34N2O3/c1-20(2)22-14-16-24(17-15-22)30-27(32)19-25(28(30)33)29(23-12-8-3-4-9-13-23)26(31)18-21-10-6-5-7-11-21/h5-7,10-11,14-17,20,23,25H,3-4,8-9,12-13,18-19H2,1-2H3
InChIKeyLJJFMHXQMGFTQJ-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.24
Rot. Bonds6

About N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide

N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 23943049) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
PubChem CID23943049
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
SMILESCC(C)c1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C28H34N2O3/c1-20(2)22-14-16-24(17-15-22)30-27(32)19-25(28(30)33)29(23-12-8-3-4-9-13-23)26(31)18-21-10-6-5-7-11-21/h5-7,10-11,14-17,20,23,25H,3-4,8-9,12-13,18-19H2,1-2H3
InChIKeyLJJFMHXQMGFTQJ-UHFFFAOYSA-N
XLogP5.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23772971
ethyl 4-[3-[cyclopentyl-(2-phenylacetyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23943046
[4-[3-[[2-(4-chlorophenyl)acetyl]-cyclohexylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23830853
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 25042105
methyl 4-[3-[[2-(4-chlorophenyl)acetyl]-cyclohexylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23943003
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23915042
N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 23887026
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-cycloheptylacetamide
CID 23915093
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25037000
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-(1-phenylethyl)acetamide
CID 23915141
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-cyclopropylacetamide
CID 23915088

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide (CID 23943049) is N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide is CC(C)c1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CCCCCC3)C2=O)cc1.
What is the InChIKey of N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is LJJFMHXQMGFTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-20(2)22-14-16-24(17-15-22)30-27(32)19-25(28(30)33)29(23-12-8-3-4-9-13-23)26(31)18-21-10-6-5-7-11-21/h5-7,10-11,14-17,20,23,25H,3-4,8-9,12-13,18-19H2,1-2H3.
What are the key properties of N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide?
N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 446.59 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 23943049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).