2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide

C22H23N3O2 — CID 55980936

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccccc1N1CCCC1
InChIInChI=1S/C22H23N3O2/c1-16-18-9-3-4-10-19(18)22(27)25(16)15-21(26)23-14-17-8-2-5-11-20(17)24-12-6-7-13-24/h2-5,8-11H,1,6-7,12-15H2,(H,23,26)
InChIKeyNPWYFSIZWYKULM-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.03
Rot. Bonds5

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide (PubChem CID 55980936) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
PubChem CID55980936
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccccc1N1CCCC1
InChIInChI=1S/C22H23N3O2/c1-16-18-9-3-4-10-19(18)22(27)25(16)15-21(26)23-14-17-8-2-5-11-20(17)24-12-6-7-13-24/h2-5,8-11H,1,6-7,12-15H2,(H,23,26)
InChIKeyNPWYFSIZWYKULM-UHFFFAOYSA-N
XLogP3.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
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2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
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2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
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2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
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3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
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N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
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N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 51314267
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8968889
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide (CID 55980936) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccccc1N1CCCC1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The InChIKey is NPWYFSIZWYKULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-18-9-3-4-10-19(18)22(27)25(16)15-21(26)23-14-17-8-2-5-11-20(17)24-12-6-7-13-24/h2-5,8-11H,1,6-7,12-15H2,(H,23,26).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 55980936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).