3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide

C21H24N2O5 — CID 87559322

IUPAC3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
SMILESCCOc1cc(C(CC(=O)NOC)C2NC(=O)c3ccccc32)ccc1OC
InChIInChI=1S/C21H24N2O5/c1-4-28-18-11-13(9-10-17(18)26-2)16(12-19(24)23-27-3)20-14-7-5-6-8-15(14)21(25)22-20/h5-11,16,20H,4,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKAZJXYYJEWBTLC-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.73
Rot. Bonds8

About 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide

3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide (PubChem CID 87559322) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
PubChem CID87559322
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
SMILESCCOc1cc(C(CC(=O)NOC)C2NC(=O)c3ccccc32)ccc1OC
InChIInChI=1S/C21H24N2O5/c1-4-28-18-11-13(9-10-17(18)26-2)16(12-19(24)23-27-3)20-14-7-5-6-8-15(14)21(25)22-20/h5-11,16,20H,4,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyKAZJXYYJEWBTLC-UHFFFAOYSA-N
XLogP2.73
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[1-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,3-dihydroisoindol-1-one
CID 67689383
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
CID 87559865
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
[[(3S)-3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoyl]amino] acetate
CID 10180824
3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)-N-hydroxypropanamide
CID 162114857
2-[3-(dimethylamino)-1-(3-ethoxy-4-methoxyphenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide
CID 173102953
2-[(1S)-2-amino-1-(3-ethoxy-4-methoxyphenyl)ethyl]isoindole-1,3-dione
CID 67991542
2-[3-(dimethylamino)-1-(3-ethoxy-4-methoxyphenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide;hydrochloride
CID 173102952
[(1R)-3-ethoxy-1-(3-ethoxy-4-methoxyphenyl)-3-oxopropyl]azanium
CID 7447456
3-[3-(3,4-dimethoxyphenyl)-1-methoxypropyl]-2,3-dihydroisoindol-1-one
CID 21460539
methyl (3R)-3-(4-amino-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate
CID 146197051
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide (CID 87559322) is 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide is CCOc1cc(C(CC(=O)NOC)C2NC(=O)c3ccccc32)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide?
The InChIKey is KAZJXYYJEWBTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-28-18-11-13(9-10-17(18)26-2)16(12-19(24)23-27-3)20-14-7-5-6-8-15(14)21(25)22-20/h5-11,16,20H,4,12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide?
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide has a molecular weight of 384.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide is sourced from PubChem (CID 87559322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).