N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone

C52H60Cl2N6O11 — CID 88596736

About N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone

N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone (PubChem CID 88596736) has the molecular formula C52H60Cl2N6O11 and a molecular weight of 1015.99 g/mol. Its IUPAC name is N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone.

Molecular Properties

• Compound Name: N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone
• PubChem CID: 88596736
• Molecular Formula: C52H60Cl2N6O11
• Molecular Weight: 1015.99 g/mol
• Exact Mass: 1014.37
• IUPAC Name: N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone
• SMILES: CCCc1c(CC(O)COc2cc(NC(=O)c3nnnn3Cc3ccc(OC)cc3)c(C)cc2Cl)ccc(C(C)=O)c1O.CCCc1c(OCC(O)COc2cc(N)c(C)cc2Cl)ccc(C(C)=O)c1O
• InChI: InChI=1S/C31H34ClN5O6.C21H26ClNO5/c1-5-6-25-21(9-12-24(19(3)38)29(25)40)14-22(39)17-43-28-15-27(18(2)13-26(28)32)33-31(41)30-34-35-36-37(30)16-20-7-10-23(42-4)11-8-20;1-4-5-16-19(7-6-15(13(3)24)21(16)26)27-10-14(25)11-28-20-9-18(23)12(2)8-17(20)22/h7-13,15,22,39-40H,5-6,14,16-17H2,1-4H3,(H,33,41);6-9,14,25-26H,4-5,10-11,23H2,1-3H3
• InChIKey: WOBHNAFDXWDUJW-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 250.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1015.99
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone?

The IUPAC name of N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone (CID 88596736) is N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone.

What is the SMILES notation for N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone?

The canonical SMILES for N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone is CCCc1c(CC(O)COc2cc(NC(=O)c3nnnn3Cc3ccc(OC)cc3)c(C)cc2Cl)ccc(C(C)=O)c1O.CCCc1c(OCC(O)COc2cc(N)c(C)cc2Cl)ccc(C(C)=O)c1O.

What is the InChIKey of N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone?

The InChIKey is WOBHNAFDXWDUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN5O6.C21H26ClNO5/c1-5-6-25-21(9-12-24(19(3)38)29(25)40)14-22(39)17-43-28-15-27(18(2)13-26(28)32)33-31(41)30-34-35-36-37(30)16-20-7-10-23(42-4)11-8-20;1-4-5-16-19(7-6-15(13(3)24)21(16)26)27-10-14(25)11-28-20-9-18(23)12(2)8-17(20)22/h7-13,15,22,39-40H,5-6,14,16-17H2,1-4H3,(H,33,41);6-9,14,25-26H,4-5,10-11,23H2,1-3H3.

What are the key properties of N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone?

N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone has a molecular weight of 1015.99 g/mol, XLogP of 8.70, 22 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenyl)-2-hydroxypropoxy]-4-chloro-2-methylphenyl]-1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxamide;1-[4-[3-(5-amino-2-chloro-4-methylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-propylphenyl]ethanone is sourced from PubChem (CID 88596736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).