(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide

C26H33N3O3 — CID 70144749

About (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide

(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide (PubChem CID 70144749) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide
• PubChem CID: 70144749
• Molecular Formula: C26H33N3O3
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.25
• IUPAC Name: (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide
• SMILES: COc1ccc(NC(=O)/C=C/c2ccc3cc[nH]c3c2)cc1OCCN(C(C)C)C(C)C
• InChI: InChI=1S/C26H33N3O3/c1-18(2)29(19(3)4)14-15-32-25-17-22(9-10-24(25)31-5)28-26(30)11-7-20-6-8-21-12-13-27-23(21)16-20/h6-13,16-19,27H,14-15H2,1-5H3,(H,28,30)/b11-7+
• InChIKey: DRBFMZQMDBJNBM-YRNVUSSQSA-N
• XLogP: 5.33
• TPSA: 66.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide?

The IUPAC name of (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide (CID 70144749) is (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide.

What is the SMILES notation for (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide?

The canonical SMILES for (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc3cc[nH]c3c2)cc1OCCN(C(C)C)C(C)C.

What is the InChIKey of (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide?

The InChIKey is DRBFMZQMDBJNBM-YRNVUSSQSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(2)29(19(3)4)14-15-32-25-17-22(9-10-24(25)31-5)28-26(30)11-7-20-6-8-21-12-13-27-23(21)16-20/h6-13,16-19,27H,14-15H2,1-5H3,(H,28,30)/b11-7+.

What are the key properties of (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide?

(E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide has a molecular weight of 435.57 g/mol, XLogP of 5.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-(1H-indol-6-yl)prop-2-enamide is sourced from PubChem (CID 70144749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).