N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide

C21H26N2O4 — CID 47064707

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C21H26N2O4/c24-19(13-23-20(25)17-6-1-2-7-18(17)21(23)26)22-10-11-27-16-9-8-14-4-3-5-15(14)12-16/h8-9,12,17-18H,1-7,10-11,13H2,(H,22,24)
InChIKeyWWEKWRKQQDCBJJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide (PubChem CID 47064707) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
PubChem CID47064707
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)C2CCCCC2C1=O)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C21H26N2O4/c24-19(13-23-20(25)17-6-1-2-7-18(17)21(23)26)22-10-11-27-16-9-8-14-4-3-5-15(14)12-16/h8-9,12,17-18H,1-7,10-11,13H2,(H,22,24)
InChIKeyWWEKWRKQQDCBJJ-UHFFFAOYSA-N
XLogP1.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 47014235
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47064713
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55903155
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55904816
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
2-(4-bromophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101586

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide (CID 47064707) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide is O=C(CN1C(=O)C2CCCCC2C1=O)NCCOc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
The InChIKey is WWEKWRKQQDCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-19(13-23-20(25)17-6-1-2-7-18(17)21(23)26)22-10-11-27-16-9-8-14-4-3-5-15(14)12-16/h8-9,12,17-18H,1-7,10-11,13H2,(H,22,24).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide is sourced from PubChem (CID 47064707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).