N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C23H27N3O4 — CID 43019612

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 43019612) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 43019612
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• SMILES: COc1cccc(C(CNC(=O)CCn2c(=O)oc3ccccc32)N2CCCC2)c1
• InChI: InChI=1S/C23H27N3O4/c1-29-18-8-6-7-17(15-18)20(25-12-4-5-13-25)16-24-22(27)11-14-26-19-9-2-3-10-21(19)30-23(26)28/h2-3,6-10,15,20H,4-5,11-14,16H2,1H3,(H,24,27)
• InChIKey: ROGSWQRTDOBCNC-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 43019612) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is COc1cccc(C(CNC(=O)CCn2c(=O)oc3ccccc32)N2CCCC2)c1.

What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The InChIKey is ROGSWQRTDOBCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-29-18-8-6-7-17(15-18)20(25-12-4-5-13-25)16-24-22(27)11-14-26-19-9-2-3-10-21(19)30-23(26)28/h2-3,6-10,15,20H,4-5,11-14,16H2,1H3,(H,24,27).

What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 409.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 43019612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).