N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C20H24N2O3 — CID 75373414

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC1CC(OCC)C12CCC2
InChIInChI=1S/C20H24N2O3/c1-3-25-17-11-16(20(17)9-6-10-20)21-18(23)12-22-13(2)14-7-4-5-8-15(14)19(22)24/h4-5,7-8,16-17H,2-3,6,9-12H2,1H3,(H,21,23)
InChIKeyHOCQMTMRCUZOKI-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.58
Rot. Bonds5

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 75373414) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID75373414
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NC1CC(OCC)C12CCC2
InChIInChI=1S/C20H24N2O3/c1-3-25-17-11-16(20(17)9-6-10-20)21-18(23)12-22-13(2)14-7-4-5-8-15(14)19(22)24/h4-5,7-8,16-17H,2-3,6,9-12H2,1H3,(H,21,23)
InChIKeyHOCQMTMRCUZOKI-UHFFFAOYSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 75373414) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NC1CC(OCC)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is HOCQMTMRCUZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-25-17-11-16(20(17)9-6-10-20)21-18(23)12-22-13(2)14-7-4-5-8-15(14)19(22)24/h4-5,7-8,16-17H,2-3,6,9-12H2,1H3,(H,21,23).
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 75373414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).