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

C48H52N4O10 — CID 159704439

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCNC(=O)CC(c1ccc(OC)c(OC2CCCC2)c1)N1C(=O)c2ccccc2C1=O.COc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C25H28N2O5.C23H24N2O5/c1-3-26-23(28)15-20(27-24(29)18-10-6-7-11-19(18)25(27)30)16-12-13-21(31-2)22(14-16)32-17-8-4-5-9-17;1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h6-7,10-14,17,20H,3-5,8-9,15H2,1-2H3,(H,26,28);4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26)
InChIKeyMYANKRIZIHHIJT-UHFFFAOYSA-N
MW844.96 g/mol
LogP7.11
Rot. Bonds15

About 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

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 (PubChem CID 159704439) has the molecular formula C48H52N4O10 and a molecular weight of 844.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID159704439
Molecular FormulaC48H52N4O10
Molecular Weight844.96 g/mol
Exact Mass844.37
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCCNC(=O)CC(c1ccc(OC)c(OC2CCCC2)c1)N1C(=O)c2ccccc2C1=O.COc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C25H28N2O5.C23H24N2O5/c1-3-26-23(28)15-20(27-24(29)18-10-6-7-11-19(18)25(27)30)16-12-13-21(31-2)22(14-16)32-17-8-4-5-9-17;1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h6-7,10-14,17,20H,3-5,8-9,15H2,1-2H3,(H,26,28);4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26)
InChIKeyMYANKRIZIHHIJT-UHFFFAOYSA-N
XLogP7.11
TPSA183.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.96
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 23030991
3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide
CID 22022292
3-[3-(2-bicyclo[2.2.2]octanyloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19690172
[[(3S)-3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-(3-cyclopentyloxy-4-methoxyphenyl)propanoyl]amino] acetate
CID 10142891
3-[3-(2-bicyclo[3.2.1]octanyloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19690161
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
[[(3S)-3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoyl]amino] acetate
CID 10180824
methyl 3-[3-(2-bicyclo[2.2.1]heptanyloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanoate
CID 19690185
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide
CID 142831924
3-(2,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide
CID 142676187
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
CID 87559865

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNC(=O)CC(c1ccc(OC)c(OC2CCCC2)c1)N1C(=O)c2ccccc2C1=O.COc1ccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1.
What is the InChIKey of 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?
The InChIKey is MYANKRIZIHHIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5.C23H24N2O5/c1-3-26-23(28)15-20(27-24(29)18-10-6-7-11-19(18)25(27)30)16-12-13-21(31-2)22(14-16)32-17-8-4-5-9-17;1-29-19-11-10-14(12-20(19)30-15-6-2-3-7-15)18(13-21(24)26)25-22(27)16-8-4-5-9-17(16)23(25)28/h6-7,10-14,17,20H,3-5,8-9,15H2,1-2H3,(H,26,28);4-5,8-12,15,18H,2-3,6-7,13H2,1H3,(H2,24,26).
What are the key properties of 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?
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 has a molecular weight of 844.96 g/mol, XLogP of 7.11, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159704439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).