(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C21H24N2O4 — CID 92741995

IUPAC(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H24N2O4/c1-4-7-17(23-13-14-8-5-6-9-16(14)21(23)25)20(24)22-15-10-11-18(26-2)19(12-15)27-3/h5-6,8-12,17H,4,7,13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyXJBKOAJLMXGCTL-QGZVFWFLSA-N
MW368.43 g/mol
LogP3.47
Rot. Bonds7

About (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 92741995) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID92741995
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCCC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O
InChIInChI=1S/C21H24N2O4/c1-4-7-17(23-13-14-8-5-6-9-16(14)21(23)25)20(24)22-15-10-11-18(26-2)19(12-15)27-3/h5-6,8-12,17H,4,7,13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyXJBKOAJLMXGCTL-QGZVFWFLSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
(2R)-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92721997
(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92688547
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
(3R)-3-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92691037
(2S)-N-(4-acetamidophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688818
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 22524598
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688946
(2S)-N-(4-bromophenyl)-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688824
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 97263101

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 92741995) is (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CCC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is XJBKOAJLMXGCTL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-7-17(23-13-14-8-5-6-9-16(14)21(23)25)20(24)22-15-10-11-18(26-2)19(12-15)27-3/h5-6,8-12,17H,4,7,13H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 368.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 92741995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).