6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide

C32H41N3O3 — CID 118732689

IUPAC6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)
InChIKeyIDTWGEUFPVJYSJ-UHFFFAOYSA-N
MW515.70 g/mol
LogP6.23
Rot. Bonds8

About 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide

6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 118732689) has the molecular formula C32H41N3O3 and a molecular weight of 515.70 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide
PubChem CID118732689
Molecular FormulaC32H41N3O3
Molecular Weight515.70 g/mol
Exact Mass515.31
IUPAC Name6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)
InChIKeyIDTWGEUFPVJYSJ-UHFFFAOYSA-N
XLogP6.23
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.70
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide (CID 118732689) is 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCNc1c3c(nc4ccccc14)CCCC3)O2.
What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide?
The InChIKey is IDTWGEUFPVJYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37).
What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 515.70 g/mol, XLogP of 6.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,5,7,8-tetramethyl-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 118732689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).