2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate

C30H35N3O4 — CID 6736668

About 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate

2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate (PubChem CID 6736668) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate.

Molecular Properties

• Compound Name: 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
• PubChem CID: 6736668
• Molecular Formula: C30H35N3O4
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.26
• IUPAC Name: 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
• SMILES: O=C(NCc1ccc2c(c1)CCO2)OCCN1CCN(Cc2ccccc2OCc2ccccc2)CC1
• InChI: InChI=1S/C30H35N3O4/c34-30(31-21-25-10-11-29-26(20-25)12-18-35-29)36-19-17-32-13-15-33(16-14-32)22-27-8-4-5-9-28(27)37-23-24-6-2-1-3-7-24/h1-11,20H,12-19,21-23H2,(H,31,34)
• InChIKey: RIDRGMPMOGXAML-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 63.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate?

The IUPAC name of 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate (CID 6736668) is 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate.

What is the SMILES notation for 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate?

The canonical SMILES for 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate is O=C(NCc1ccc2c(c1)CCO2)OCCN1CCN(Cc2ccccc2OCc2ccccc2)CC1.

What is the InChIKey of 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate?

The InChIKey is RIDRGMPMOGXAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c34-30(31-21-25-10-11-29-26(20-25)12-18-35-29)36-19-17-32-13-15-33(16-14-32)22-27-8-4-5-9-28(27)37-23-24-6-2-1-3-7-24/h1-11,20H,12-19,21-23H2,(H,31,34).

What are the key properties of 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate?

2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate has a molecular weight of 501.63 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-phenylmethoxyphenyl)methyl]piperazin-1-yl]ethyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate is sourced from PubChem (CID 6736668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).