ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine

C28H38N4O3 — CID 143183970

About ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine

ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine (PubChem CID 143183970) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine
• PubChem CID: 143183970
• Molecular Formula: C28H38N4O3
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.29
• IUPAC Name: ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine
• SMILES: CCCN(C)CC.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)c1
• InChI: InChI=1S/C22H23N3O3.C6H15N/c1-4-25-20-13-17(27-5-2)10-11-18(20)19(14-23)21(25)15-8-7-9-16(12-15)24-22(26)28-6-3;1-4-6-7(3)5-2/h7-13H,4-6H2,1-3H3,(H,24,26);4-6H2,1-3H3
• InChIKey: KXCCUNSEPKSPQV-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 79.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine?

The IUPAC name of ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine (CID 143183970) is ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine.

What is the SMILES notation for ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine?

The canonical SMILES for ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine is CCCN(C)CC.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)c1.

What is the InChIKey of ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine?

The InChIKey is KXCCUNSEPKSPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.C6H15N/c1-4-25-20-13-17(27-5-2)10-11-18(20)19(14-23)21(25)15-8-7-9-16(12-15)24-22(26)28-6-3;1-4-6-7(3)5-2/h7-13H,4-6H2,1-3H3,(H,24,26);4-6H2,1-3H3.

What are the key properties of ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine?

ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine has a molecular weight of 478.64 g/mol, XLogP of 6.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine is sourced from PubChem (CID 143183970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).