N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide

C24H26N2O4 — CID 23772971

IUPACN-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CCCC3)C2=O)cc1
InChIInChI=1S/C24H26N2O4/c1-30-20-13-11-19(12-14-20)26-23(28)16-21(24(26)29)25(18-9-5-6-10-18)22(27)15-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,21H,5-6,9-10,15-16H2,1H3
InChIKeyCSMXBTFTZZYHJQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.34
Rot. Bonds6

About N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide

N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 23772971) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
PubChem CID23772971
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CCCC3)C2=O)cc1
InChIInChI=1S/C24H26N2O4/c1-30-20-13-11-19(12-14-20)26-23(28)16-21(24(26)29)25(18-9-5-6-10-18)22(27)15-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,21H,5-6,9-10,15-16H2,1H3
InChIKeyCSMXBTFTZZYHJQ-UHFFFAOYSA-N
XLogP3.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide (CID 23772971) is N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide is COc1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CCCC3)C2=O)cc1.
What is the InChIKey of N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is CSMXBTFTZZYHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-30-20-13-11-19(12-14-20)26-23(28)16-21(24(26)29)25(18-9-5-6-10-18)22(27)15-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,21H,5-6,9-10,15-16H2,1H3.
What are the key properties of N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide?
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 406.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 23772971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).