N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide

C21H24N2O5 — CID 90709320

IUPACN-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCCOc1cc(N(OC)C(=O)CCN2Cc3ccccc3C2=O)ccc1OC
InChIInChI=1S/C21H24N2O5/c1-4-28-19-13-16(9-10-18(19)26-2)23(27-3)20(24)11-12-22-14-15-7-5-6-8-17(15)21(22)25/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyKCKJCBBKUPWTMM-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.03
Rot. Bonds8

About N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide

N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 90709320) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID90709320
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCCOc1cc(N(OC)C(=O)CCN2Cc3ccccc3C2=O)ccc1OC
InChIInChI=1S/C21H24N2O5/c1-4-28-19-13-16(9-10-18(19)26-2)23(27-3)20(24)11-12-22-14-15-7-5-6-8-17(15)21(22)25/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyKCKJCBBKUPWTMM-UHFFFAOYSA-N
XLogP3.03
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 90709320) is N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide is CCOc1cc(N(OC)C(=O)CCN2Cc3ccccc3C2=O)ccc1OC.
What is the InChIKey of N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is KCKJCBBKUPWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-28-19-13-16(9-10-18(19)26-2)23(27-3)20(24)11-12-22-14-15-7-5-6-8-17(15)21(22)25/h5-10,13H,4,11-12,14H2,1-3H3.
What are the key properties of N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide?
N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 384.43 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 90709320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).