2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

C18H21N3O3 — CID 18157247

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C18H21N3O3/c1-13-14-6-2-3-7-15(14)18(24)21(13)12-16(22)19-9-8-17(23)20-10-4-5-11-20/h2-3,6-7H,1,4-5,8-12H2,(H,19,22)
InChIKeyUCRMVUFIBHWHOT-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.24
Rot. Bonds5

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 18157247) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID18157247
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C18H21N3O3/c1-13-14-6-2-3-7-15(14)18(24)21(13)12-16(22)19-9-8-17(23)20-10-4-5-11-20/h2-3,6-7H,1,4-5,8-12H2,(H,19,22)
InChIKeyUCRMVUFIBHWHOT-UHFFFAOYSA-N
XLogP1.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
3-methylidene-2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]isoindol-1-one
CID 16622791
N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide
CID 55566914
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55709832
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55980936
3-methylidene-2-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]isoindol-1-one
CID 87030569
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 17466380
N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 111433260
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 94122073
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
(3S)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidine-3-carboxylic acid
CID 119136464
2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-3-methylideneisoindol-1-one
CID 18135913

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 18157247) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is UCRMVUFIBHWHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-14-6-2-3-7-15(14)18(24)21(13)12-16(22)19-9-8-17(23)20-10-4-5-11-20/h2-3,6-7H,1,4-5,8-12H2,(H,19,22).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.24, 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-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 18157247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).