2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride

C29H32ClN3O7 — CID 11995844

About 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride

2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride (PubChem CID 11995844) has the molecular formula C29H32ClN3O7 and a molecular weight of 570.04 g/mol. Its IUPAC name is 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
• PubChem CID: 11995844
• Molecular Formula: C29H32ClN3O7
• Molecular Weight: 570.04 g/mol
• Exact Mass: 569.19
• IUPAC Name: 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride
• SMILES: COc1ccc(CC(N)C(=O)Nc2cc(-c3cnoc3-c3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1.Cl
• InChI: InChI=1S/C29H31N3O7.ClH/c1-34-20-9-6-17(7-10-20)12-22(30)29(33)32-23-13-18(8-11-24(23)35-2)21-16-31-39-27(21)19-14-25(36-3)28(38-5)26(15-19)37-4;/h6-11,13-16,22H,12,30H2,1-5H3,(H,32,33);1H
• InChIKey: XITVIBBZXKNBGH-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 127.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.04
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?

The IUPAC name of 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride (CID 11995844) is 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride.

What is the SMILES notation for 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?

The canonical SMILES for 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride is COc1ccc(CC(N)C(=O)Nc2cc(-c3cnoc3-c3cc(OC)c(OC)c(OC)c3)ccc2OC)cc1.Cl.

What is the InChIKey of 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?

The InChIKey is XITVIBBZXKNBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O7.ClH/c1-34-20-9-6-17(7-10-20)12-22(30)29(33)32-23-13-18(8-11-24(23)35-2)21-16-31-39-27(21)19-14-25(36-3)28(38-5)26(15-19)37-4;/h6-11,13-16,22H,12,30H2,1-5H3,(H,32,33);1H.

What are the key properties of 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride?

2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride has a molecular weight of 570.04 g/mol, XLogP of 4.98, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-(4-methoxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 11995844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).