N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C31H26N4O4 — CID 126013367

About N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 126013367) has the molecular formula C31H26N4O4 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• PubChem CID: 126013367
• Molecular Formula: C31H26N4O4
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.20
• IUPAC Name: N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
• SMILES: Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
• InChI: InChI=1S/C31H26N4O4/c1-21-8-2-5-11-26(21)33-30(37)20-39-23-16-14-22(15-17-23)18-32-34-29(36)19-35-27-12-6-3-9-24(27)31(38)25-10-4-7-13-28(25)35/h2-18H,19-20H2,1H3,(H,33,37)(H,34,36)/b32-18+
• InChIKey: KVMOLYMGJGBLSI-KCSSXMTESA-N
• XLogP: 4.63
• TPSA: 101.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The IUPAC name of N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 126013367) is N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

What is the SMILES notation for N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The canonical SMILES for N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.

What is the InChIKey of N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

The InChIKey is KVMOLYMGJGBLSI-KCSSXMTESA-N. The full InChI is InChI=1S/C31H26N4O4/c1-21-8-2-5-11-26(21)33-30(37)20-39-23-16-14-22(15-17-23)18-32-34-29(36)19-35-27-12-6-3-9-24(27)31(38)25-10-4-7-13-28(25)35/h2-18H,19-20H2,1H3,(H,33,37)(H,34,36)/b32-18+.

What are the key properties of N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?

N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 518.57 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 126013367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).