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

C28H34N2O6 — CID 23916411

IUPACN-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
SMILESCCOc1ccc(N2C(=O)CC(N(C(=O)c3ccc(OC)c(OC)c3)C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C28H34N2O6/c1-4-36-22-14-12-21(13-15-22)30-26(31)18-23(28(30)33)29(20-9-7-5-6-8-10-20)27(32)19-11-16-24(34-2)25(17-19)35-3/h11-17,20,23H,4-10,18H2,1-3H3
InChIKeyQSCPQPWHBKJASL-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.60
Rot. Bonds8

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

N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 23916411) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
PubChem CID23916411
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC NameN-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
SMILESCCOc1ccc(N2C(=O)CC(N(C(=O)c3ccc(OC)c(OC)c3)C3CCCCCC3)C2=O)cc1
InChIInChI=1S/C28H34N2O6/c1-4-36-22-14-12-21(13-15-22)30-26(31)18-23(28(30)33)29(20-9-7-5-6-8-10-20)27(32)19-11-16-24(34-2)25(17-19)35-3/h11-17,20,23H,4-10,18H2,1-3H3
InChIKeyQSCPQPWHBKJASL-UHFFFAOYSA-N
XLogP4.60
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.60
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-3,4-dimethoxybenzamide
CID 23972416
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 25036502
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23832221
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]furan-2-carboxamide
CID 23802209
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969
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-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-3-methoxybenzamide
CID 23888438
ethyl 4-[3-[cycloheptyl-(3-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23860843
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23830803
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158
N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide (CID 23916411) is N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide is CCOc1ccc(N2C(=O)CC(N(C(=O)c3ccc(OC)c(OC)c3)C3CCCCCC3)C2=O)cc1.
What is the InChIKey of N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is QSCPQPWHBKJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-4-36-22-14-12-21(13-15-22)30-26(31)18-23(28(30)33)29(20-9-7-5-6-8-10-20)27(32)19-11-16-24(34-2)25(17-19)35-3/h11-17,20,23H,4-10,18H2,1-3H3.
What are the key properties of N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide?
N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 494.59 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23916411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).