6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide

C37H51N3O3 — CID 118732693

IUPAC6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C37H51N3O3/c1-25-26(2)35-28(27(3)34(25)41)21-22-37(4,43-35)36(42)39-24-16-10-8-6-5-7-9-15-23-38-33-29-17-11-13-19-31(29)40-32-20-14-12-18-30(32)33/h11,13,17,19,41H,5-10,12,14-16,18,20-24H2,1-4H3,(H,38,40)(H,39,42)
InChIKeyHEGWZHATVPIKRD-UHFFFAOYSA-N
MW585.83 g/mol
LogP8.18
Rot. Bonds13

About 6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide

6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 118732693) has the molecular formula C37H51N3O3 and a molecular weight of 585.83 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide
PubChem CID118732693
Molecular FormulaC37H51N3O3
Molecular Weight585.83 g/mol
Exact Mass585.39
IUPAC Name6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
InChIInChI=1S/C37H51N3O3/c1-25-26(2)35-28(27(3)34(25)41)21-22-37(4,43-35)36(42)39-24-16-10-8-6-5-7-9-15-23-38-33-29-17-11-13-19-31(29)40-32-20-14-12-18-30(32)33/h11,13,17,19,41H,5-10,12,14-16,18,20-24H2,1-4H3,(H,38,40)(H,39,42)
InChIKeyHEGWZHATVPIKRD-UHFFFAOYSA-N
XLogP8.18
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.83
LogP ≤ 58.18
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-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide (CID 118732693) is 6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2.
What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide?
The InChIKey is HEGWZHATVPIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51N3O3/c1-25-26(2)35-28(27(3)34(25)41)21-22-37(4,43-35)36(42)39-24-16-10-8-6-5-7-9-15-23-38-33-29-17-11-13-19-31(29)40-32-20-14-12-18-30(32)33/h11,13,17,19,41H,5-10,12,14-16,18,20-24H2,1-4H3,(H,38,40)(H,39,42).
What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide?
6-hydroxy-2,5,7,8-tetramethyl-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 585.83 g/mol, XLogP of 8.18, 13 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-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 118732693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).