N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide

C163H173Cl4N9O27 — CID 159748828

About N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide

N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide (PubChem CID 159748828) has the molecular formula C163H173Cl4N9O27 and a molecular weight of 2832.02 g/mol. Its IUPAC name is N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 159748828
• Molecular Formula: C163H173Cl4N9O27
• Molecular Weight: 2832.02 g/mol
• Exact Mass: 2828.12
• IUPAC Name: N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide
• SMILES: CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(C3CC3(Cl)Cl)cc2)cc1.CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cc1.CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.CC(=O)c1ccc(O)c(OC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c1.CC(=O)c1ccc(O)c(OC(=O)c2cccnc2)c1.Cc1ccc(C)c(OCCCC(C)(C)C(=O)CCC(=O)c2ccc(NC(=O)c3cccnc3)cc2)c1.Cc1ccc(C)c(OCCCC(C)(C)C(=O)Cc2ccc(C(=O)CNC(=O)c3cccnc3)cc2)c1
• InChI: InChI=1S/2C30H34N2O4.C27H27ClN2O4.C23H28O5.C21H21Cl2NO3.C18H18ClNO3.C14H11NO4/c1-21-8-9-22(2)27(19-21)36-18-6-16-30(3,4)28(34)15-14-26(33)23-10-12-25(13-11-23)32-29(35)24-7-5-17-31-20-24;1-21-8-9-22(2)27(17-21)36-16-6-14-30(3,4)28(34)18-23-10-12-24(13-11-23)26(33)20-32-29(35)25-7-5-15-31-19-25;1-18(31)20-8-12-23(13-9-20)30-26(33)27(2,3)34-24-14-4-19(5-15-24)16-17-29-25(32)21-6-10-22(28)11-7-21;1-15-7-8-16(2)20(13-15)27-12-6-11-23(4,5)22(26)28-21-14-18(17(3)24)9-10-19(21)25;1-13(25)14-4-8-16(9-5-14)24-19(26)20(2,3)27-17-10-6-15(7-11-17)18-12-21(18,22)23;1-12(21)13-4-8-15(9-5-13)20-17(22)18(2,3)23-16-10-6-14(19)7-11-16;1-9(16)10-4-5-12(17)13(7-10)19-14(18)11-3-2-6-15-8-11/h5,7-13,17,19-20H,6,14-16,18H2,1-4H3,(H,32,35);5,7-13,15,17,19H,6,14,16,18,20H2,1-4H3,(H,32,35);4-15H,16-17H2,1-3H3,(H,29,32)(H,30,33);7-10,13-14,25H,6,11-12H2,1-5H3;4-11,18H,12H2,1-3H3,(H,24,26);4-11H,1-3H3,(H,20,22);2-8,17H,1H3
• InChIKey: NDJSPLRYNAXZLV-UHFFFAOYSA-N
• XLogP: 33.88
• TPSA: 515.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 55
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2832.02
LogP ≤ 5	33.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide (CID 159748828) is N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(C3CC3(Cl)Cl)cc2)cc1.CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2)cc1.CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.CC(=O)c1ccc(O)c(OC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c1.CC(=O)c1ccc(O)c(OC(=O)c2cccnc2)c1.Cc1ccc(C)c(OCCCC(C)(C)C(=O)CCC(=O)c2ccc(NC(=O)c3cccnc3)cc2)c1.Cc1ccc(C)c(OCCCC(C)(C)C(=O)Cc2ccc(C(=O)CNC(=O)c3cccnc3)cc2)c1.

What is the InChIKey of N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide?

The InChIKey is NDJSPLRYNAXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H34N2O4.C27H27ClN2O4.C23H28O5.C21H21Cl2NO3.C18H18ClNO3.C14H11NO4/c1-21-8-9-22(2)27(19-21)36-18-6-16-30(3,4)28(34)15-14-26(33)23-10-12-25(13-11-23)32-29(35)24-7-5-17-31-20-24;1-21-8-9-22(2)27(17-21)36-16-6-14-30(3,4)28(34)18-23-10-12-24(13-11-23)26(33)20-32-29(35)25-7-5-15-31-19-25;1-18(31)20-8-12-23(13-9-20)30-26(33)27(2,3)34-24-14-4-19(5-15-24)16-17-29-25(32)21-6-10-22(28)11-7-21;1-15-7-8-16(2)20(13-15)27-12-6-11-23(4,5)22(26)28-21-14-18(17(3)24)9-10-19(21)25;1-13(25)14-4-8-16(9-5-14)24-19(26)20(2,3)27-17-10-6-15(7-11-17)18-12-21(18,22)23;1-12(21)13-4-8-15(9-5-13)20-17(22)18(2,3)23-16-10-6-14(19)7-11-16;1-9(16)10-4-5-12(17)13(7-10)19-14(18)11-3-2-6-15-8-11/h5,7-13,17,19-20H,6,14-16,18H2,1-4H3,(H,32,35);5,7-13,15,17,19H,6,14,16,18,20H2,1-4H3,(H,32,35);4-15H,16-17H2,1-3H3,(H,29,32)(H,30,33);7-10,13-14,25H,6,11-12H2,1-5H3;4-11,18H,12H2,1-3H3,(H,24,26);4-11H,1-3H3,(H,20,22);2-8,17H,1H3.

What are the key properties of N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide?

N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 2832.02 g/mol, XLogP of 33.88, 55 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[1-(4-acetylanilino)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]-4-chlorobenzamide;(5-acetyl-2-hydroxyphenyl) 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate;(5-acetyl-2-hydroxyphenyl) pyridine-3-carboxylate;N-(4-acetylphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide;N-(4-acetylphenyl)-2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanamide;N-[2-[4-[6-(2,5-dimethylphenoxy)-3,3-dimethyl-2-oxohexyl]phenyl]-2-oxoethyl]pyridine-3-carboxamide;N-[4-[8-(2,5-dimethylphenoxy)-5,5-dimethyl-4-oxooctanoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 159748828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).