N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

C20H20N2O4 — CID 110344890

IUPACN-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C20H20N2O4/c1-2-26-16-6-4-15(5-7-16)21-19(24)10-9-18(23)13-3-8-17-14(11-13)12-20(25)22-17/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyZGGRZINHNDAOLS-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.18
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (PubChem CID 110344890) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
PubChem CID110344890
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESCCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C20H20N2O4/c1-2-26-16-6-4-15(5-7-16)21-19(24)10-9-18(23)13-3-8-17-14(11-13)12-20(25)22-17/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyZGGRZINHNDAOLS-UHFFFAOYSA-N
XLogP3.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (CID 110344890) is N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is CCOc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The InChIKey is ZGGRZINHNDAOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-26-16-6-4-15(5-7-16)21-19(24)10-9-18(23)13-3-8-17-14(11-13)12-20(25)22-17/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide has a molecular weight of 352.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 110344890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).