2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide

C28H31ClN2O5 — CID 157141760

About 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide

2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide (PubChem CID 157141760) has the molecular formula C28H31ClN2O5 and a molecular weight of 511.02 g/mol. Its IUPAC name is 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide
• PubChem CID: 157141760
• Molecular Formula: C28H31ClN2O5
• Molecular Weight: 511.02 g/mol
• Exact Mass: 510.19
• IUPAC Name: 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide
• SMILES: CCCNC(=O)/C(=N\C)c1ccc(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1Cl
• InChI: InChI=1S/C28H31ClN2O5/c1-5-16-31-28(32)26(30-2)23-14-15-24(35-17-19-6-10-21(33-3)11-7-19)27(25(23)29)36-18-20-8-12-22(34-4)13-9-20/h6-15H,5,16-18H2,1-4H3,(H,31,32)/b30-26-
• InChIKey: IJLGXLZNZVAESV-BXVZCJGGSA-N
• XLogP: 5.46
• TPSA: 78.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.02
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide?

The IUPAC name of 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide (CID 157141760) is 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide.

What is the SMILES notation for 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide?

The canonical SMILES for 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide is CCCNC(=O)/C(=N\C)c1ccc(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1Cl.

What is the InChIKey of 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide?

The InChIKey is IJLGXLZNZVAESV-BXVZCJGGSA-N. The full InChI is InChI=1S/C28H31ClN2O5/c1-5-16-31-28(32)26(30-2)23-14-15-24(35-17-19-6-10-21(33-3)11-7-19)27(25(23)29)36-18-20-8-12-22(34-4)13-9-20/h6-15H,5,16-18H2,1-4H3,(H,31,32)/b30-26-.

What are the key properties of 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide?

2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide has a molecular weight of 511.02 g/mol, XLogP of 5.46, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-methylimino-N-propylacetamide is sourced from PubChem (CID 157141760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).