ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium

C18H29FN3O3+ — CID 8682973

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium (PubChem CID 8682973) has the molecular formula C18H29FN3O3+ and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium
• PubChem CID: 8682973
• Molecular Formula: C18H29FN3O3+
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.22
• IUPAC Name: ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium
• SMILES: CCNC(=O)C[NH+](CC)CC(=O)N(CC)Cc1ccc(OC)c(F)c1
• InChI: InChI=1S/C18H28FN3O3/c1-5-20-17(23)12-21(6-2)13-18(24)22(7-3)11-14-8-9-16(25-4)15(19)10-14/h8-10H,5-7,11-13H2,1-4H3,(H,20,23)/p+1
• InChIKey: IHFZRPNRWRTEPO-UHFFFAOYSA-O
• XLogP: 0.22
• TPSA: 63.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium?

The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium (CID 8682973) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium.

What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium?

The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)N(CC)Cc1ccc(OC)c(F)c1.

What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium?

The InChIKey is IHFZRPNRWRTEPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28FN3O3/c1-5-20-17(23)12-21(6-2)13-18(24)22(7-3)11-14-8-9-16(25-4)15(19)10-14/h8-10H,5-7,11-13H2,1-4H3,(H,20,23)/p+1.

What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium?

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium has a molecular weight of 354.45 g/mol, XLogP of 0.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8682973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).