N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide

C27H29N3O5 — CID 23972416

IUPACN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(C2CCCCCC2)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC
InChIInChI=1S/C27H29N3O5/c1-34-23-14-11-19(15-24(23)35-2)26(32)29(20-7-5-3-4-6-8-20)22-16-25(31)30(27(22)33)21-12-9-18(17-28)10-13-21/h9-15,20,22H,3-8,16H2,1-2H3
InChIKeyKJWXGLFZFYOQFU-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.07
Rot. Bonds6

About N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide (PubChem CID 23972416) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide
PubChem CID23972416
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(C2CCCCCC2)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC
InChIInChI=1S/C27H29N3O5/c1-34-23-14-11-19(15-24(23)35-2)26(32)29(20-7-5-3-4-6-8-20)22-16-25(31)30(27(22)33)21-12-9-18(17-28)10-13-21/h9-15,20,22H,3-8,16H2,1-2H3
InChIKeyKJWXGLFZFYOQFU-UHFFFAOYSA-N
XLogP4.07
TPSA99.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3-methoxybenzamide
CID 23888438
N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23916411
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 25036502
N-cyclohexyl-3,4-dimethoxy-N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23888409
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 23916419
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
CID 23915154
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158
ethyl 4-[3-[cycloheptyl-(3-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23860843

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide (CID 23972416) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(C2CCCCCC2)C2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC.
What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide?
The InChIKey is KJWXGLFZFYOQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-34-23-14-11-19(15-24(23)35-2)26(32)29(20-7-5-3-4-6-8-20)22-16-25(31)30(27(22)33)21-12-9-18(17-28)10-13-21/h9-15,20,22H,3-8,16H2,1-2H3.
What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide?
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide has a molecular weight of 475.55 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 23972416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).