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

C29H33N3O4 — CID 23915204

IUPACN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCCOc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)C(=O)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C29H33N3O4/c1-2-36-23-14-12-22(13-15-23)32-27(33)18-26(29(32)35)31(28(34)20-8-4-3-5-9-20)17-16-21-19-30-25-11-7-6-10-24(21)25/h6-7,10-15,19-20,26,30H,2-5,8-9,16-18H2,1H3
InChIKeyABAXRIXLQSZWRP-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.85
Rot. Bonds8

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

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 23915204) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID23915204
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide
SMILESCCOc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)C(=O)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C29H33N3O4/c1-2-36-23-14-12-22(13-15-23)32-27(33)18-26(29(32)35)31(28(34)20-8-4-3-5-9-20)17-16-21-19-30-25-11-7-6-10-24(21)25/h6-7,10-15,19-20,26,30H,2-5,8-9,16-18H2,1H3
InChIKeyABAXRIXLQSZWRP-UHFFFAOYSA-N
XLogP4.85
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.85
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]cyclopropanecarboxamide
CID 23859207
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
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
CID 23943123
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

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]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide (CID 23915204) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide is CCOc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)C(=O)C3CCCCC3)C2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is ABAXRIXLQSZWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-2-36-23-14-12-22(13-15-23)32-27(33)18-26(29(32)35)31(28(34)20-8-4-3-5-9-20)17-16-21-19-30-25-11-7-6-10-24(21)25/h6-7,10-15,19-20,26,30H,2-5,8-9,16-18H2,1H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide?
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 487.60 g/mol, XLogP of 4.85, 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]cyclohexanecarboxamide is sourced from PubChem (CID 23915204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).