3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide

C28H28N2O5 — CID 22022292

IUPAC3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide
SMILESCCOc1cc(C(CC(N)=O)N2C(=O)c3cc4ccccc4cc3C2=O)ccc1OC1CCCC1
InChIInChI=1S/C28H28N2O5/c1-2-34-25-15-19(11-12-24(25)35-20-9-5-6-10-20)23(16-26(29)31)30-27(32)21-13-17-7-3-4-8-18(17)14-22(21)28(30)33/h3-4,7-8,11-15,20,23H,2,5-6,9-10,16H2,1H3,(H2,29,31)
InChIKeyZCOBYXWRSBVZIC-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.77
Rot. Bonds8

About 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide

3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide (PubChem CID 22022292) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide
PubChem CID22022292
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide
SMILESCCOc1cc(C(CC(N)=O)N2C(=O)c3cc4ccccc4cc3C2=O)ccc1OC1CCCC1
InChIInChI=1S/C28H28N2O5/c1-2-34-25-15-19(11-12-24(25)35-20-9-5-6-10-20)23(16-26(29)31)30-27(32)21-13-17-7-3-4-8-18(17)14-22(21)28(30)33/h3-4,7-8,11-15,20,23H,2,5-6,9-10,16H2,1H3,(H2,29,31)
InChIKeyZCOBYXWRSBVZIC-UHFFFAOYSA-N
XLogP4.77
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.77
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
3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 23030991
3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 22022327
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
3-[3-(2-bicyclo[2.2.2]octanyloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19690172
2-[(1S)-2-amino-1-(3-ethoxy-4-methoxyphenyl)ethyl]isoindole-1,3-dione
CID 67991542
3-[3-(2-bicyclo[3.2.1]octanyloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19690161
2-[2-[1-(3-ethoxy-4-methoxyphenyl)-3-oxobutyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 123222376
(3S)-3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]propanamide
CID 124563407
3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide
CID 70150988
methyl (3R)-3-(4-amino-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate
CID 146197051

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide?
The IUPAC name of 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide (CID 22022292) is 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide.
What is the SMILES notation for 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide?
The canonical SMILES for 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide is CCOc1cc(C(CC(N)=O)N2C(=O)c3cc4ccccc4cc3C2=O)ccc1OC1CCCC1.
What is the InChIKey of 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide?
The InChIKey is ZCOBYXWRSBVZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-2-34-25-15-19(11-12-24(25)35-20-9-5-6-10-20)23(16-26(29)31)30-27(32)21-13-17-7-3-4-8-18(17)14-22(21)28(30)33/h3-4,7-8,11-15,20,23H,2,5-6,9-10,16H2,1H3,(H2,29,31).
What are the key properties of 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide?
3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide has a molecular weight of 472.54 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide is sourced from PubChem (CID 22022292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).