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

C29H35N3O3 — CID 118732687

IUPAC6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C29H35N3O3/c1-17-18(2)27-20(19(3)26(17)33)13-14-29(4,35-27)28(34)31-16-15-30-25-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)25/h5,7,9,11,33H,6,8,10,12-16H2,1-4H3,(H,30,32)(H,31,34)
InChIKeyGYSSCMBLUIEVHL-UHFFFAOYSA-N
MW473.62 g/mol
LogP5.06
Rot. Bonds5

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

6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 118732687) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide
PubChem CID118732687
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C29H35N3O3/c1-17-18(2)27-20(19(3)26(17)33)13-14-29(4,35-27)28(34)31-16-15-30-25-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)25/h5,7,9,11,33H,6,8,10,12-16H2,1-4H3,(H,30,32)(H,31,34)
InChIKeyGYSSCMBLUIEVHL-UHFFFAOYSA-N
XLogP5.06
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.06
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-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide (CID 118732687) is 6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCNc1c3c(nc4ccccc14)CCCC3)O2.
What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide?
The InChIKey is GYSSCMBLUIEVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-17-18(2)27-20(19(3)26(17)33)13-14-29(4,35-27)28(34)31-16-15-30-25-21-9-5-7-11-23(21)32-24-12-8-6-10-22(24)25/h5,7,9,11,33H,6,8,10,12-16H2,1-4H3,(H,30,32)(H,31,34).
What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-2,5,7,8-tetramethyl-N-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 5.06, 5 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-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 118732687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).