N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide

C23H26N2O5 — CID 55968770

About N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide

N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 55968770) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
• PubChem CID: 55968770
• Molecular Formula: C23H26N2O5
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.18
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
• SMILES: COc1ccccc1CN(CC1CCCO1)C(=O)CCn1c(=O)oc2ccccc21
• InChI: InChI=1S/C23H26N2O5/c1-28-20-10-4-2-7-17(20)15-24(16-18-8-6-14-29-18)22(26)12-13-25-19-9-3-5-11-21(19)30-23(25)27/h2-5,7,9-11,18H,6,8,12-16H2,1H3
• InChIKey: JUDDZJWAIQVAKW-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 73.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 55968770) is N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide.

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

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide is COc1ccccc1CN(CC1CCCO1)C(=O)CCn1c(=O)oc2ccccc21.

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

The InChIKey is JUDDZJWAIQVAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-20-10-4-2-7-17(20)15-24(16-18-8-6-14-29-18)22(26)12-13-25-19-9-3-5-11-21(19)30-23(25)27/h2-5,7,9-11,18H,6,8,12-16H2,1H3.

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

N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 410.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 55968770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).