3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide

C22H18N2O2 — CID 16590437

IUPAC3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O2/c1-15-19-8-4-5-9-20(19)22(26)24(15)13-12-21(25)23-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14H,1,12-13H2,(H,23,25)
InChIKeyYLABQKGZSLUMHL-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.30
Rot. Bonds4

About 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide

3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide (PubChem CID 16590437) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
PubChem CID16590437
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O2/c1-15-19-8-4-5-9-20(19)22(26)24(15)13-12-21(25)23-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14H,1,12-13H2,(H,23,25)
InChIKeyYLABQKGZSLUMHL-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 51492454
N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915
N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16590769
N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 166404959
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591753
propan-2-yl 4-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]benzoate
CID 16598611
N-(2,4-dimethoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591872
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
N-(2,3-dimethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 17435886
N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 24673492
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide (CID 16590437) is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide?
The InChIKey is YLABQKGZSLUMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-19-8-4-5-9-20(19)22(26)24(15)13-12-21(25)23-18-11-10-16-6-2-3-7-17(16)14-18/h2-11,14H,1,12-13H2,(H,23,25).
What are the key properties of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide?
3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide has a molecular weight of 342.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 16590437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).