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

C31H39N3O3 — CID 118732688

IUPAC6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)
InChIKeyAGELYORQPXWSGA-UHFFFAOYSA-N
MW501.67 g/mol
LogP5.84
Rot. Bonds7

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

6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 118732688) has the molecular formula C31H39N3O3 and a molecular weight of 501.67 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide
PubChem CID118732688
Molecular FormulaC31H39N3O3
Molecular Weight501.67 g/mol
Exact Mass501.30
IUPAC Name6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36)
InChIKeyAGELYORQPXWSGA-UHFFFAOYSA-N
XLogP5.84
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 55.84
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-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide (CID 118732688) is 6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCNc1c3c(nc4ccccc14)CCCC3)O2.
What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide?
The InChIKey is AGELYORQPXWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O3/c1-19-20(2)29-22(21(3)28(19)35)15-16-31(4,37-29)30(36)33-18-10-9-17-32-27-23-11-5-7-13-25(23)34-26-14-8-6-12-24(26)27/h5,7,11,13,35H,6,8-10,12,14-18H2,1-4H3,(H,32,34)(H,33,36).
What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-2,5,7,8-tetramethyl-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 501.67 g/mol, XLogP of 5.84, 7 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-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 118732688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).