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

C26H24N2O5 — CID 10694592

IUPACN-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C26H24N2O5/c1-32-22-13-12-18(14-23(22)33-2)21(15-24(29)27-16-17-8-4-3-5-9-17)28-25(30)19-10-6-7-11-20(19)26(28)31/h3-14,21H,15-16H2,1-2H3,(H,27,29)
InChIKeyJWEDWYXWMXOFMA-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.75
Rot. Bonds8

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

N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 10694592) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID10694592
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC NameN-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C26H24N2O5/c1-32-22-13-12-18(14-23(22)33-2)21(15-24(29)27-16-17-8-4-3-5-9-17)28-25(30)19-10-6-7-11-20(19)26(28)31/h3-14,21H,15-16H2,1-2H3,(H,27,29)
InChIKeyJWEDWYXWMXOFMA-UHFFFAOYSA-N
XLogP3.75
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.75
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-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)-N-hydroxypropanamide
CID 162114857
[[(3S)-3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoyl]amino] acetate
CID 10180824
(3R)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(2-phenylethyl)propanamide
CID 92691059
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
3-(3,4-dimethoxyphenyl)-3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanoic acid
CID 152735280
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 23030991
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 42885190
2-[(2S,4S)-1,5-bis(3,4-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)-3-oxo-1,5-diphenylpentan-2-yl]isoindole-1,3-dione
CID 70363603
3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide
CID 142676187
2-(1,3-dioxoisoindol-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylbutanamide
CID 55677457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 10694592) is N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is COc1ccc(C(CC(=O)NCc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1OC.
What is the InChIKey of N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is JWEDWYXWMXOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-32-22-13-12-18(14-23(22)33-2)21(15-24(29)27-16-17-8-4-3-5-9-17)28-25(30)19-10-6-7-11-20(19)26(28)31/h3-14,21H,15-16H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 444.49 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 10694592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).