2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide

C34H39BrN2O5 — CID 126271844

IUPAC2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
SMILESCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(N)=O
InChIInChI=1S/C34H39BrN2O5/c1-33(2)15-23-30(25(38)17-33)29(21-13-22(35)32(27(14-21)41-5)42-19-28(36)40)31-24(16-34(3,4)18-26(31)39)37(23)12-11-20-9-7-6-8-10-20/h6-10,13-14,29H,11-12,15-19H2,1-5H3,(H2,36,40)
InChIKeyNOVYTIWWAMBZAA-UHFFFAOYSA-N
MW635.60 g/mol
LogP6.25
Rot. Bonds8

About 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide

2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide (PubChem CID 126271844) has the molecular formula C34H39BrN2O5 and a molecular weight of 635.60 g/mol. Its IUPAC name is 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
PubChem CID126271844
Molecular FormulaC34H39BrN2O5
Molecular Weight635.60 g/mol
Exact Mass634.20
IUPAC Name2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
SMILESCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(N)=O
InChIInChI=1S/C34H39BrN2O5/c1-33(2)15-23-30(25(38)17-33)29(21-13-22(35)32(27(14-21)41-5)42-19-28(36)40)31-24(16-34(3,4)18-26(31)39)37(23)12-11-20-9-7-6-8-10-20/h6-10,13-14,29H,11-12,15-19H2,1-5H3,(H2,36,40)
InChIKeyNOVYTIWWAMBZAA-UHFFFAOYSA-N
XLogP6.25
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.60
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide with MolForge

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Related Compounds

2-[9-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 4771972
N-(4-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126274863
N-(2-chlorophenyl)-2-[2,6-dibromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126264639
2-[2-bromo-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126260286
2-[2,6-dibromo-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126233280
2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-bromophenoxy]acetamide
CID 126271539
2-[2-chloro-6-ethoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126077315
2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126070216
2-[2-bromo-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 126262446
9-[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]-3,3,6,6-tetramethyl-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126075321
2-[3-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetic acid
CID 126075051
3-[9-(3-methoxy-4-phenylmethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126076291

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide (CID 126271844) is 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide is COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CCc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide?
The InChIKey is NOVYTIWWAMBZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39BrN2O5/c1-33(2)15-23-30(25(38)17-33)29(21-13-22(35)32(27(14-21)41-5)42-19-28(36)40)31-24(16-34(3,4)18-26(31)39)37(23)12-11-20-9-7-6-8-10-20/h6-10,13-14,29H,11-12,15-19H2,1-5H3,(H2,36,40).
What are the key properties of 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide?
2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide has a molecular weight of 635.60 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-methoxy-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide is sourced from PubChem (CID 126271844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).