N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide

C25H28N2O4 — CID 23887026

IUPACN-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide
SMILESO=C1CC(N(C(=O)COc2ccccc2)C2CCCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C25H28N2O4/c28-23-17-22(25(30)27(23)20-13-7-3-8-14-20)26(19-11-5-1-2-6-12-19)24(29)18-31-21-15-9-4-10-16-21/h3-4,7-10,13-16,19,22H,1-2,5-6,11-12,17-18H2
InChIKeyBPTLLVFGBSOWKN-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.95
Rot. Bonds6

About N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide

N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide (PubChem CID 23887026) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide
PubChem CID23887026
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide
SMILESO=C1CC(N(C(=O)COc2ccccc2)C2CCCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C25H28N2O4/c28-23-17-22(25(30)27(23)20-13-7-3-8-14-20)26(19-11-5-1-2-6-12-19)24(29)18-31-21-15-9-4-10-16-21/h3-4,7-10,13-16,19,22H,1-2,5-6,11-12,17-18H2
InChIKeyBPTLLVFGBSOWKN-UHFFFAOYSA-N
XLogP3.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.95
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

ethyl 4-[3-[cyclopropyl-(2-phenoxyacetyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23970977
N-cyclopentyl-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 23998820
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23772971
N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
CID 23745237
N-cyclopropyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 23830942
N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 23943049
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23802209
2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
ethyl 4-[3-[cyclopentyl-(2-phenylacetyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23943046
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23830803
N-cycloheptyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23830829
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide (CID 23887026) is N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide is O=C1CC(N(C(=O)COc2ccccc2)C2CCCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide?
The InChIKey is BPTLLVFGBSOWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c28-23-17-22(25(30)27(23)20-13-7-3-8-14-20)26(19-11-5-1-2-6-12-19)24(29)18-31-21-15-9-4-10-16-21/h3-4,7-10,13-16,19,22H,1-2,5-6,11-12,17-18H2.
What are the key properties of N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide?
N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide has a molecular weight of 420.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 23887026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).