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

C35H42N2O4 — CID 126264443

IUPACN-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCC(=O)Nc3ccccc3C)c2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C35H42N2O4/c1-7-15-37-26-17-34(3,4)19-28(38)32(26)31(33-27(37)18-35(5,6)20-29(33)39)23-12-10-13-24(16-23)41-21-30(40)36-25-14-9-8-11-22(25)2/h8-14,16,31H,7,15,17-21H2,1-6H3,(H,36,40)
InChIKeySMBUWHAHHKFXSA-UHFFFAOYSA-N
MW554.73 g/mol
LogP7.11
Rot. Bonds7

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

N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (PubChem CID 126264443) has the molecular formula C35H42N2O4 and a molecular weight of 554.73 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
PubChem CID126264443
Molecular FormulaC35H42N2O4
Molecular Weight554.73 g/mol
Exact Mass554.31
IUPAC NameN-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
SMILESCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCC(=O)Nc3ccccc3C)c2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C35H42N2O4/c1-7-15-37-26-17-34(3,4)19-28(38)32(26)31(33-27(37)18-35(5,6)20-29(33)39)23-12-10-13-24(16-23)41-21-30(40)36-25-14-9-8-11-22(25)2/h8-14,16,31H,7,15,17-21H2,1-6H3,(H,36,40)
InChIKeySMBUWHAHHKFXSA-UHFFFAOYSA-N
XLogP7.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.73
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126274725
2-[3-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126276248
N-phenyl-2-[4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126277003
2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126259179
N-(2,4-dimethylphenyl)-2-[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126273682
2-[2,6-dibromo-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126277267
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
N-(2,5-dimethylphenyl)-2-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]acetamide
CID 126269122
2-[3-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126267574
N-(3,4-dimethylphenyl)-2-[2-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126254102
2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126259278
2-[2-chloro-4-[3,3,6,6-tetramethyl-1,8-dioxo-10-(2-phenylethyl)-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]-N-(2,3-dimethylphenyl)acetamide
CID 126261810

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide (CID 126264443) is N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OCC(=O)Nc3ccccc3C)c2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?
The InChIKey is SMBUWHAHHKFXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2O4/c1-7-15-37-26-17-34(3,4)19-28(38)32(26)31(33-27(37)18-35(5,6)20-29(33)39)23-12-10-13-24(16-23)41-21-30(40)36-25-14-9-8-11-22(25)2/h8-14,16,31H,7,15,17-21H2,1-6H3,(H,36,40).
What are the key properties of N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide?
N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide has a molecular weight of 554.73 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[3-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide is sourced from PubChem (CID 126264443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).