3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide

C20H20N2O3 — CID 16597724

IUPAC3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)NCCOc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15-17-9-5-6-10-18(17)20(24)22(15)13-11-19(23)21-12-14-25-16-7-3-2-4-8-16/h2-10H,1,11-14H2,(H,21,23)
InChIKeyJMSUPKDEIMAULM-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.70
Rot. Bonds7

About 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide

3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide (PubChem CID 16597724) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide
PubChem CID16597724
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)NCCOc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15-17-9-5-6-10-18(17)20(24)22(15)13-11-19(23)21-12-14-25-16-7-3-2-4-8-16/h2-10H,1,11-14H2,(H,21,23)
InChIKeyJMSUPKDEIMAULM-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-[2-[3-oxo-3-(2-phenoxyethylamino)propoxy]ethyl]propanamide
CID 138744280
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55398248
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113202740
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
[2-oxo-2-(2-phenoxyethylamino)ethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521652
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium
CID 8919123
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
CID 16590437
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethoxy)acetamide
CID 110294678
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide (CID 16597724) is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)NCCOc1ccccc1.
What is the InChIKey of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide?
The InChIKey is JMSUPKDEIMAULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-15-17-9-5-6-10-18(17)20(24)22(15)13-11-19(23)21-12-14-25-16-7-3-2-4-8-16/h2-10H,1,11-14H2,(H,21,23).
What are the key properties of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide?
3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 16597724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).