[3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate

C29H32N2O3S — CID 74398457

About [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate

[3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate (PubChem CID 74398457) has the molecular formula C29H32N2O3S and a molecular weight of 488.65 g/mol. Its IUPAC name is [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate.

Molecular Properties

• Compound Name: [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate
• PubChem CID: 74398457
• Molecular Formula: C29H32N2O3S
• Molecular Weight: 488.65 g/mol
• Exact Mass: 488.21
• IUPAC Name: [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate
• SMILES: CC(c1cccc(OC(=O)N(C)CCC(Oc2cccc3ccccc23)c2cccs2)c1)N(C)C
• InChI: InChI=1S/C29H32N2O3S/c1-21(30(2)3)23-12-7-13-24(20-23)33-29(32)31(4)18-17-27(28-16-9-19-35-28)34-26-15-8-11-22-10-5-6-14-25(22)26/h5-16,19-21,27H,17-18H2,1-4H3
• InChIKey: CKTLFWLBOQRPST-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 42.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.65
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate?

The IUPAC name of [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate (CID 74398457) is [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate.

What is the SMILES notation for [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate?

The canonical SMILES for [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate is CC(c1cccc(OC(=O)N(C)CCC(Oc2cccc3ccccc23)c2cccs2)c1)N(C)C.

What is the InChIKey of [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate?

The InChIKey is CKTLFWLBOQRPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3S/c1-21(30(2)3)23-12-7-13-24(20-23)33-29(32)31(4)18-17-27(28-16-9-19-35-28)34-26-15-8-11-22-10-5-6-14-25(22)26/h5-16,19-21,27H,17-18H2,1-4H3.

What are the key properties of [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate?

[3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate has a molecular weight of 488.65 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-(dimethylamino)ethyl]phenyl] N-methyl-N-(3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl)carbamate is sourced from PubChem (CID 74398457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).