N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C27H29ClN2O4 — CID 6009481

About N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 6009481) has the molecular formula C27H29ClN2O4 and a molecular weight of 480.99 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
• PubChem CID: 6009481
• Molecular Formula: C27H29ClN2O4
• Molecular Weight: 480.99 g/mol
• Exact Mass: 480.18
• IUPAC Name: N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
• SMILES: COc1cc(/C=N\NC(=O)COc2cc(C(C)C)ccc2C)ccc1OCc1ccc(Cl)cc1
• InChI: InChI=1S/C27H29ClN2O4/c1-18(2)22-9-5-19(3)25(14-22)34-17-27(31)30-29-15-21-8-12-24(26(13-21)32-4)33-16-20-6-10-23(28)11-7-20/h5-15,18H,16-17H2,1-4H3,(H,30,31)/b29-15-
• InChIKey: NMMFHJYZJVRXTL-FDVSRXAVSA-N
• XLogP: 5.89
• TPSA: 69.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.99
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 6009481) is N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is COc1cc(/C=N\NC(=O)COc2cc(C(C)C)ccc2C)ccc1OCc1ccc(Cl)cc1.

What is the InChIKey of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?

The InChIKey is NMMFHJYZJVRXTL-FDVSRXAVSA-N. The full InChI is InChI=1S/C27H29ClN2O4/c1-18(2)22-9-5-19(3)25(14-22)34-17-27(31)30-29-15-21-8-12-24(26(13-21)32-4)33-16-20-6-10-23(28)11-7-20/h5-15,18H,16-17H2,1-4H3,(H,30,31)/b29-15-.

What are the key properties of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?

N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 480.99 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 6009481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).