2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide

C16H27N3O2 — CID 83212167

IUPAC2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNC1CCCc2cn(CC(=O)NCCCOC)cc21
InChIInChI=1S/C16H27N3O2/c1-3-17-15-7-4-6-13-10-19(11-14(13)15)12-16(20)18-8-5-9-21-2/h10-11,15,17H,3-9,12H2,1-2H3,(H,18,20)
InChIKeyRCNQJLAAJKNQRK-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.63
Rot. Bonds8

About 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide

2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 83212167) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide
PubChem CID83212167
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide
SMILESCCNC1CCCc2cn(CC(=O)NCCCOC)cc21
InChIInChI=1S/C16H27N3O2/c1-3-17-15-7-4-6-13-10-19(11-14(13)15)12-16(20)18-8-5-9-21-2/h10-11,15,17H,3-9,12H2,1-2H3,(H,18,20)
InChIKeyRCNQJLAAJKNQRK-UHFFFAOYSA-N
XLogP1.63
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83203970
methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83214267
butyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83214494
N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83203803
N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83203090
methyl 2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83217246
N-butyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetamide
CID 83208365
N-butan-2-yl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
CID 83209842
N,N-diethyl-2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
CID 83212097
N-(2-cyanoethyl)-2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
CID 83213883
N-(cyanomethyl)-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
CID 83208470
2-[2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]ethoxy]ethanol
CID 83212664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide (CID 83212167) is 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide is CCNC1CCCc2cn(CC(=O)NCCCOC)cc21.
What is the InChIKey of 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is RCNQJLAAJKNQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-17-15-7-4-6-13-10-19(11-14(13)15)12-16(20)18-8-5-9-21-2/h10-11,15,17H,3-9,12H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide?
2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 83212167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).