3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide

C21H22N2O5 — CID 142676187

IUPAC3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide
SMILESCCNC(=O)CC(c1ccc(OC)cc1OC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O5/c1-4-22-19(24)12-17(16-10-9-13(27-2)11-18(16)28-3)23-20(25)14-7-5-6-8-15(14)21(23)26/h5-11,17H,4,12H2,1-3H3,(H,22,24)
InChIKeySSGNTVGAGGHFSQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.57
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide

3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide (PubChem CID 142676187) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide
PubChem CID142676187
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide
SMILESCCNC(=O)CC(c1ccc(OC)cc1OC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H22N2O5/c1-4-22-19(24)12-17(16-10-9-13(27-2)11-18(16)28-3)23-20(25)14-7-5-6-8-15(14)21(23)26/h5-11,17H,4,12H2,1-3H3,(H,22,24)
InChIKeySSGNTVGAGGHFSQ-UHFFFAOYSA-N
XLogP2.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 159704439
N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 10694592
3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)-N-hydroxypropanamide
CID 162114857
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010
[[(3S)-3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoyl]amino] acetate
CID 10180824
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentanamide
CID 86776780
(2S)-N-(2,4-dimethoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 7605329
ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate
CID 142676179
2-(1,3-dioxoisoindol-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylbutanamide
CID 55677457
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide (CID 142676187) is 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide is CCNC(=O)CC(c1ccc(OC)cc1OC)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide?
The InChIKey is SSGNTVGAGGHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-4-22-19(24)12-17(16-10-9-13(27-2)11-18(16)28-3)23-20(25)14-7-5-6-8-15(14)21(23)26/h5-11,17H,4,12H2,1-3H3,(H,22,24).
What are the key properties of 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide?
3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide has a molecular weight of 382.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide is sourced from PubChem (CID 142676187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).