N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide

C62H87N11O10S — CID 176686810

About N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide

N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 176686810) has the molecular formula C62H87N11O10S and a molecular weight of 1178.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 176686810
• Molecular Formula: C62H87N11O10S
• Molecular Weight: 1178.51 g/mol
• Exact Mass: 1177.64
• IUPAC Name: N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide
• SMILES: C=C/C=C(\C=C)CNC(=O)Cc1ccc(OC)cc1.CN(CCCCOc1ccc(CCC(=O)NC2CC2)cc1)CCOCCOCCC(/C=N/CCOCCOc1ccc(NC(=O)Nc2nc(CC(=O)N3CCN(C)CC3)cs2)cc1)=N/N
• InChI: InChI=1S/C46H68N10O8S.C16H19NO2/c1-54(19-3-4-25-63-41-12-5-36(6-13-41)7-16-43(57)49-37-8-9-37)24-28-62-30-29-60-26-17-39(53-47)34-48-18-27-61-31-32-64-42-14-10-38(11-15-42)50-45(59)52-46-51-40(35-65-46)33-44(58)56-22-20-55(2)21-23-56;1-4-6-13(5-2)12-17-16(18)11-14-7-9-15(19-3)10-8-14/h5-6,10-15,34-35,37H,3-4,7-9,16-33,47H2,1-2H3,(H,49,57)(H2,50,51,52,59);4-10H,1-2,11-12H2,3H3,(H,17,18)/b48-34+,53-39-;13-6+
• InChIKey: YGKMUUVLEIOTDS-CECAQFQPSA-N
• XLogP: 6.96
• TPSA: 245.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 38
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1178.51
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide (CID 176686810) is N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide is C=C/C=C(\C=C)CNC(=O)Cc1ccc(OC)cc1.CN(CCCCOc1ccc(CCC(=O)NC2CC2)cc1)CCOCCOCCC(/C=N/CCOCCOc1ccc(NC(=O)Nc2nc(CC(=O)N3CCN(C)CC3)cs2)cc1)=N/N.

What is the InChIKey of N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is YGKMUUVLEIOTDS-CECAQFQPSA-N. The full InChI is InChI=1S/C46H68N10O8S.C16H19NO2/c1-54(19-3-4-25-63-41-12-5-36(6-13-41)7-16-43(57)49-37-8-9-37)24-28-62-30-29-60-26-17-39(53-47)34-48-18-27-61-31-32-64-42-14-10-38(11-15-42)50-45(59)52-46-51-40(35-65-46)33-44(58)56-22-20-55(2)21-23-56;1-4-6-13(5-2)12-17-16(18)11-14-7-9-15(19-3)10-8-14/h5-6,10-15,34-35,37H,3-4,7-9,16-33,47H2,1-2H3,(H,49,57)(H2,50,51,52,59);4-10H,1-2,11-12H2,3H3,(H,17,18)/b48-34+,53-39-;13-6+.

What are the key properties of N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide?

N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 1178.51 g/mol, XLogP of 6.96, 38 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[4-[4-[2-[2-[(3Z)-3-hydrazinylidene-4-[2-[2-[4-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]carbamoylamino]phenoxy]ethoxy]ethylimino]butoxy]ethoxy]ethyl-methylamino]butoxy]phenyl]propanamide;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 176686810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).