2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide

C26H34N4O3 — CID 166186487

IUPAC2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCCCN1Cc2cccc(NC(=O)COCC(=O)Nc3cccc4c3CN(CCC)C4)c2C1
InChIInChI=1S/C26H34N4O3/c1-3-11-29-13-19-7-5-9-23(21(19)15-29)27-25(31)17-33-18-26(32)28-24-10-6-8-20-14-30(12-4-2)16-22(20)24/h5-10H,3-4,11-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyCPPYZPHGOGWWEQ-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.73
Rot. Bonds10

About 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide

2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide (PubChem CID 166186487) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
PubChem CID166186487
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCCCN1Cc2cccc(NC(=O)COCC(=O)Nc3cccc4c3CN(CCC)C4)c2C1
InChIInChI=1S/C26H34N4O3/c1-3-11-29-13-19-7-5-9-23(21(19)15-29)27-25(31)17-33-18-26(32)28-24-10-6-8-20-14-30(12-4-2)16-22(20)24/h5-10H,3-4,11-18H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyCPPYZPHGOGWWEQ-UHFFFAOYSA-N
XLogP3.73
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109727
2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119109721
N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
CID 110478696
3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167889310
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
CID 120645756
1-(2-methoxy-5-methylphenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)pyrazole-3-carboxamide
CID 119041491
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide
CID 119872419
3-(2-aminophenyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]propanamide;dihydrochloride
CID 120612872
N-[2-[(2S)-3-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]propanamide
CID 95145433
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide
CID 119872427

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide?
The IUPAC name of 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide (CID 166186487) is 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide?
The canonical SMILES for 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide is CCCN1Cc2cccc(NC(=O)COCC(=O)Nc3cccc4c3CN(CCC)C4)c2C1.
What is the InChIKey of 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide?
The InChIKey is CPPYZPHGOGWWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-3-11-29-13-19-7-5-9-23(21(19)15-29)27-25(31)17-33-18-26(32)28-24-10-6-8-20-14-30(12-4-2)16-22(20)24/h5-10H,3-4,11-18H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide?
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide has a molecular weight of 450.58 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide is sourced from PubChem (CID 166186487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).