2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C23H23N3O3 — CID 55709832

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H23N3O3/c1-16-19-9-2-3-10-20(19)23(29)26(16)15-21(27)24-14-17-7-6-8-18(13-17)22(28)25-11-4-5-12-25/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,24,27)
InChIKeyQEJTVRHRIJRVFD-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.67
Rot. Bonds5

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 55709832) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID55709832
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C23H23N3O3/c1-16-19-9-2-3-10-20(19)23(29)26(16)15-21(27)24-14-17-7-6-8-18(13-17)22(28)25-11-4-5-12-25/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,24,27)
InChIKeyQEJTVRHRIJRVFD-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 17466380
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 49336908
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157247
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55980936
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-3-methylideneisoindol-1-one
CID 18135913
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzoic acid
CID 108767672
2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55710063
N-benzyl-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777140

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 55709832) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is QEJTVRHRIJRVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-19-9-2-3-10-20(19)23(29)26(16)15-21(27)24-14-17-7-6-8-18(13-17)22(28)25-11-4-5-12-25/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H,24,27).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.67, 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-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55709832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).