3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide

C27H32Cl2N4O6 — CID 6037597

About 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide

3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 6037597) has the molecular formula C27H32Cl2N4O6 and a molecular weight of 579.48 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 6037597
• Molecular Formula: C27H32Cl2N4O6
• Molecular Weight: 579.48 g/mol
• Exact Mass: 578.17
• IUPAC Name: 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: CCOc1cc(/C=N\NC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)ccc1OCC(=O)N1CCOCC1
• InChI: InChI=1S/C27H32Cl2N4O6/c1-4-38-23-13-18(5-8-22(23)39-16-24(34)33-9-11-37-12-10-33)15-30-32-27(36)25(17(2)3)31-26(35)19-6-7-20(28)21(29)14-19/h5-8,13-15,17,25H,4,9-12,16H2,1-3H3,(H,31,35)(H,32,36)/b30-15-
• InChIKey: ZUVWMXGWFUTWBA-MNDYBZJGSA-N
• XLogP: 3.53
• TPSA: 118.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.48
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide (CID 6037597) is 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1cc(/C=N\NC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)ccc1OCC(=O)N1CCOCC1.

What is the InChIKey of 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

The InChIKey is ZUVWMXGWFUTWBA-MNDYBZJGSA-N. The full InChI is InChI=1S/C27H32Cl2N4O6/c1-4-38-23-13-18(5-8-22(23)39-16-24(34)33-9-11-37-12-10-33)15-30-32-27(36)25(17(2)3)31-26(35)19-6-7-20(28)21(29)14-19/h5-8,13-15,17,25H,4,9-12,16H2,1-3H3,(H,31,35)(H,32,36)/b30-15-.

What are the key properties of 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide?

3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 579.48 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[1-[(2Z)-2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 6037597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).