3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide

C19H20N2O3 — CID 167904012

IUPAC3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide
SMILESO=C(CCN1Cc2ccccc2C1=O)NC1CCCc2ccoc21
InChIInChI=1S/C19H20N2O3/c22-17(20-16-7-3-5-13-9-11-24-18(13)16)8-10-21-12-14-4-1-2-6-15(14)19(21)23/h1-2,4,6,9,11,16H,3,5,7-8,10,12H2,(H,20,22)
InChIKeyMFOPIAYUAJQKRU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.82
Rot. Bonds4

About 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide

3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide (PubChem CID 167904012) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide
PubChem CID167904012
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide
SMILESO=C(CCN1Cc2ccccc2C1=O)NC1CCCc2ccoc21
InChIInChI=1S/C19H20N2O3/c22-17(20-16-7-3-5-13-9-11-24-18(13)16)8-10-21-12-14-4-1-2-6-15(14)19(21)23/h1-2,4,6,9,11,16H,3,5,7-8,10,12H2,(H,20,22)
InChIKeyMFOPIAYUAJQKRU-UHFFFAOYSA-N
XLogP2.82
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91764386
1-cyclohexyl-3-[2-(3-oxo-1H-isoindol-2-yl)ethyl]thiourea
CID 726999
2-[3-[4-(dimethylamino)azepan-1-yl]-3-oxopropyl]-3H-isoindol-1-one
CID 56903278
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
2-[3-(4-fluorophenyl)-3-oxopropyl]-3H-isoindol-1-one
CID 62025088
3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 124772895
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 72838629
4-(2-oxobenzo[cd]indol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 133145406
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
9-[3-(3-oxo-1H-isoindol-2-yl)propanoyl]-1-oxa-9-azaspiro[5.5]undecane-2-carboxylic acid
CID 166317760
(2S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 125118742

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide?
The IUPAC name of 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide (CID 167904012) is 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide.
What is the SMILES notation for 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide?
The canonical SMILES for 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide is O=C(CCN1Cc2ccccc2C1=O)NC1CCCc2ccoc21.
What is the InChIKey of 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide?
The InChIKey is MFOPIAYUAJQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-17(20-16-7-3-5-13-9-11-24-18(13)16)8-10-21-12-14-4-1-2-6-15(14)19(21)23/h1-2,4,6,9,11,16H,3,5,7-8,10,12H2,(H,20,22).
What are the key properties of 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide?
3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)propanamide is sourced from PubChem (CID 167904012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).