2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide

C33H43N3O4 — CID 162673669

IUPAC2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide
SMILESCOc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C33H43N3O4/c1-33(17-16-23-20-28(37)30(39-2)21-29(23)40-33)22-31(38)34-18-10-4-3-5-11-19-35-32-24-12-6-8-14-26(24)36-27-15-9-7-13-25(27)32/h6,8,12,14,20-21,37H,3-5,7,9-11,13,15-19,22H2,1-2H3,(H,34,38)(H,35,36)
InChIKeyRGXJEOGAMRWBRC-UHFFFAOYSA-N
MW545.72 g/mol
LogP6.48
Rot. Bonds12

About 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide

2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide (PubChem CID 162673669) has the molecular formula C33H43N3O4 and a molecular weight of 545.72 g/mol. Its IUPAC name is 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide.

Molecular Properties

Compound Name2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide
PubChem CID162673669
Molecular FormulaC33H43N3O4
Molecular Weight545.72 g/mol
Exact Mass545.33
IUPAC Name2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide
SMILESCOc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C33H43N3O4/c1-33(17-16-23-20-28(37)30(39-2)21-29(23)40-33)22-31(38)34-18-10-4-3-5-11-19-35-32-24-12-6-8-14-26(24)36-27-15-9-7-13-25(27)32/h6,8,12,14,20-21,37H,3-5,7,9-11,13,15-19,22H2,1-2H3,(H,34,38)(H,35,36)
InChIKeyRGXJEOGAMRWBRC-UHFFFAOYSA-N
XLogP6.48
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.72
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide?
The IUPAC name of 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide (CID 162673669) is 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide.
What is the SMILES notation for 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide?
The canonical SMILES for 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide is COc1cc2c(cc1O)CCC(C)(CC(=O)NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2.
What is the InChIKey of 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide?
The InChIKey is RGXJEOGAMRWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O4/c1-33(17-16-23-20-28(37)30(39-2)21-29(23)40-33)22-31(38)34-18-10-4-3-5-11-19-35-32-24-12-6-8-14-26(24)36-27-15-9-7-13-25(27)32/h6,8,12,14,20-21,37H,3-5,7,9-11,13,15-19,22H2,1-2H3,(H,34,38)(H,35,36).
What are the key properties of 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide?
2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide has a molecular weight of 545.72 g/mol, XLogP of 6.48, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydrochromen-2-yl)-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]acetamide is sourced from PubChem (CID 162673669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).