N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

C29H30N2O4 — CID 130472709

About N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (PubChem CID 130472709) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
• PubChem CID: 130472709
• Molecular Formula: C29H30N2O4
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.22
• IUPAC Name: N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
• SMILES: CCc1cc(Oc2cccc(OCC3CC3)c2)ccc1-c1nc2ccc(C(C)NC(C)=O)cc2o1
• InChI: InChI=1S/C29H30N2O4/c1-4-21-14-25(34-24-7-5-6-23(16-24)33-17-20-8-9-20)11-12-26(21)29-31-27-13-10-22(15-28(27)35-29)18(2)30-19(3)32/h5-7,10-16,18,20H,4,8-9,17H2,1-3H3,(H,30,32)
• InChIKey: TXHOSTXOAOCCPG-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?

The IUPAC name of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (CID 130472709) is N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.

What is the SMILES notation for N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?

The canonical SMILES for N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is CCc1cc(Oc2cccc(OCC3CC3)c2)ccc1-c1nc2ccc(C(C)NC(C)=O)cc2o1.

What is the InChIKey of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?

The InChIKey is TXHOSTXOAOCCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-4-21-14-25(34-24-7-5-6-23(16-24)33-17-20-8-9-20)11-12-26(21)29-31-27-13-10-22(15-28(27)35-29)18(2)30-19(3)32/h5-7,10-16,18,20H,4,8-9,17H2,1-3H3,(H,30,32).

What are the key properties of N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?

N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide has a molecular weight of 470.57 g/mol, XLogP of 6.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]-2-ethylphenyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is sourced from PubChem (CID 130472709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).