N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

C22H20N2O3 — CID 71947979

IUPACN-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESO=C(NCc1ccco1)C(Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C22H20N2O3/c25-21(23-14-18-10-6-12-27-18)20(13-16-7-2-1-3-8-16)24-15-17-9-4-5-11-19(17)22(24)26/h1-12,20H,13-15H2,(H,23,25)
InChIKeyOWCMBUFTRKQWRD-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.16
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (PubChem CID 71947979) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
PubChem CID71947979
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESO=C(NCc1ccco1)C(Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C22H20N2O3/c25-21(23-14-18-10-6-12-27-18)20(13-16-7-2-1-3-8-16)24-15-17-9-4-5-11-19(17)22(24)26/h1-12,20H,13-15H2,(H,23,25)
InChIKeyOWCMBUFTRKQWRD-UHFFFAOYSA-N
XLogP3.16
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905607
2-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one
CID 92688588
N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
CID 51069470
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 91638341
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
CID 92886577
(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814887
(2R)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 98166792
(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
(2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688621
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 91638506

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (CID 71947979) is N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is O=C(NCc1ccco1)C(Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The InChIKey is OWCMBUFTRKQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(23-14-18-10-6-12-27-18)20(13-16-7-2-1-3-8-16)24-15-17-9-4-5-11-19(17)22(24)26/h1-12,20H,13-15H2,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide has a molecular weight of 360.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 71947979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).