N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide

C26H27N3O4 — CID 23859207

IUPACN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
SMILESCCOc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)C(=O)C3CC3)C2=O)cc1
InChIInChI=1S/C26H27N3O4/c1-2-33-20-11-9-19(10-12-20)29-24(30)15-23(26(29)32)28(25(31)17-7-8-17)14-13-18-16-27-22-6-4-3-5-21(18)22/h3-6,9-12,16-17,23,27H,2,7-8,13-15H2,1H3
InChIKeyCMWTUBAUNZICCA-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.68
Rot. Bonds8

About N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide (PubChem CID 23859207) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
PubChem CID23859207
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
SMILESCCOc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)C(=O)C3CC3)C2=O)cc1
InChIInChI=1S/C26H27N3O4/c1-2-33-20-11-9-19(10-12-20)29-24(30)15-23(26(29)32)28(25(31)17-7-8-17)14-13-18-16-27-22-6-4-3-5-21(18)22/h3-6,9-12,16-17,23,27H,2,7-8,13-15H2,1H3
InChIKeyCMWTUBAUNZICCA-UHFFFAOYSA-N
XLogP3.68
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 23915204
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 23971036
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 23830842
N-[4-[3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743728
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
CID 23971007
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxy-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23860658
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745412
N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23773037
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23915169
methyl 4-[3-[2-(1H-indol-3-yl)ethyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23803639
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 23916419
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide (CID 23859207) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide is CCOc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)C(=O)C3CC3)C2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is CMWTUBAUNZICCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-33-20-11-9-19(10-12-20)29-24(30)15-23(26(29)32)28(25(31)17-7-8-17)14-13-18-16-27-22-6-4-3-5-21(18)22/h3-6,9-12,16-17,23,27H,2,7-8,13-15H2,1H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide?
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 23859207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).