N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide

C14H20N2O2 — CID 83208578

IUPACN-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cc2c(c1)C(O)CCC2)C1CC1
InChIInChI=1S/C14H20N2O2/c1-15(11-5-6-11)14(18)9-16-7-10-3-2-4-13(17)12(10)8-16/h7-8,11,13,17H,2-6,9H2,1H3
InChIKeyKRFQKCOSMWQORJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds3

About N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide

N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide (PubChem CID 83208578) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide
PubChem CID83208578
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cc2c(c1)C(O)CCC2)C1CC1
InChIInChI=1S/C14H20N2O2/c1-15(11-5-6-11)14(18)9-16-7-10-3-2-4-13(17)12(10)8-16/h7-8,11,13,17H,2-6,9H2,1H3
InChIKeyKRFQKCOSMWQORJ-UHFFFAOYSA-N
XLogP1.48
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide (CID 83208578) is N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide is CN(C(=O)Cn1cc2c(c1)C(O)CCC2)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide?
The InChIKey is KRFQKCOSMWQORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(11-5-6-11)14(18)9-16-7-10-3-2-4-13(17)12(10)8-16/h7-8,11,13,17H,2-6,9H2,1H3.
What are the key properties of N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide?
N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-hydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 83208578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).