N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide

C18H23N3O3 — CID 171789094

IUPACN-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide
SMILESC=CN/C(=N\C)C(CCC)N1Cc2c(OCC=O)cccc2C1=O
InChIInChI=1S/C18H23N3O3/c1-4-7-15(17(19-3)20-5-2)21-12-14-13(18(21)23)8-6-9-16(14)24-11-10-22/h5-6,8-10,15H,2,4,7,11-12H2,1,3H3,(H,19,20)
InChIKeyRGXBYQZVCWXRSE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.15
Rot. Bonds8

About N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide

N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide (PubChem CID 171789094) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide
PubChem CID171789094
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide
SMILESC=CN/C(=N\C)C(CCC)N1Cc2c(OCC=O)cccc2C1=O
InChIInChI=1S/C18H23N3O3/c1-4-7-15(17(19-3)20-5-2)21-12-14-13(18(21)23)8-6-9-16(14)24-11-10-22/h5-6,8-10,15H,2,4,7,11-12H2,1,3H3,(H,19,20)
InChIKeyRGXBYQZVCWXRSE-UHFFFAOYSA-N
XLogP2.15
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 171788986
tert-butyl (4S)-5-amino-5-oxo-4-(3-oxo-7-prop-2-enoxy-1H-isoindol-2-yl)pentanoate
CID 134579368
2-[7-[(Z)-2,5-dimethylidenehept-3-enoxy]-3-oxo-1H-isoindol-2-yl]-5-oxohexanamide;ethane
CID 142516207
4-[7-[(Z)-3-amino-4-(N-aminoanilino)but-3-enoxy]-3-oxo-1H-isoindol-2-yl]-5-(methylamino)hex-5-enal
CID 166795143
4-[7-[(E)-2-(2-methylphenyl)but-2-enoxy]-3-oxo-1H-isoindol-2-yl]-5-oxohexanal
CID 170444810
tert-butyl 5-amino-4-[7-[(Z)-2,5-dimethylidenehept-3-enoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 153367630
2-[7-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130311984
N-methyl-2-[7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 170121129
2-[7-[4-(4-cyanopiperidin-1-yl)-4-oxobutoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166701320
2-[7-[[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 129236667
2-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 138526825
methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67334473

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide?
The IUPAC name of N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide (CID 171789094) is N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide.
What is the SMILES notation for N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide?
The canonical SMILES for N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide is C=CN/C(=N\C)C(CCC)N1Cc2c(OCC=O)cccc2C1=O.
What is the InChIKey of N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide?
The InChIKey is RGXBYQZVCWXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-7-15(17(19-3)20-5-2)21-12-14-13(18(21)23)8-6-9-16(14)24-11-10-22/h5-6,8-10,15H,2,4,7,11-12H2,1,3H3,(H,19,20).
What are the key properties of N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide?
N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide has a molecular weight of 329.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methyl-2-[3-oxo-7-(2-oxoethoxy)-1H-isoindol-2-yl]pentanimidamide is sourced from PubChem (CID 171789094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).