N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C22H26N2O2 — CID 20905754

IUPACN-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCc1cc(C)cc(NC(=O)C(CC(C)C)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C22H26N2O2/c1-14(2)9-20(21(25)23-18-11-15(3)10-16(4)12-18)24-13-17-7-5-6-8-19(17)22(24)26/h5-8,10-12,14,20H,9,13H2,1-4H3,(H,23,25)
InChIKeyWNQUITVSCJAUAA-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.31
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 20905754) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID20905754
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCc1cc(C)cc(NC(=O)C(CC(C)C)N2Cc3ccccc3C2=O)c1
InChIInChI=1S/C22H26N2O2/c1-14(2)9-20(21(25)23-18-11-15(3)10-16(4)12-18)24-13-17-7-5-6-8-19(17)22(24)26/h5-8,10-12,14,20H,9,13H2,1-4H3,(H,23,25)
InChIKeyWNQUITVSCJAUAA-UHFFFAOYSA-N
XLogP4.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 40559094
(2S)-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 71754998
4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905757
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 20905699
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779
(2S)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 71964724
ethane;ethyl 4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoate
CID 153352723
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277980
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 20905754) is N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide is Cc1cc(C)cc(NC(=O)C(CC(C)C)N2Cc3ccccc3C2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is WNQUITVSCJAUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14(2)9-20(21(25)23-18-11-15(3)10-16(4)12-18)24-13-17-7-5-6-8-19(17)22(24)26/h5-8,10-12,14,20H,9,13H2,1-4H3,(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 350.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 20905754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).