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

C34H40N2O4 — CID 126277003

IUPACN-phenyl-2-[4-(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(c2ccc(OCC(=O)Nc3ccccc3)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C34H40N2O4/c1-6-16-36-25-17-33(2,3)19-27(37)31(25)30(32-26(36)18-34(4,5)20-28(32)38)22-12-14-24(15-13-22)40-21-29(39)35-23-10-8-7-9-11-23/h7-15,30H,6,16-21H2,1-5H3,(H,35,39)
InChIKeyRNAWGUSDPLIMKV-UHFFFAOYSA-N
MW540.70 g/mol
LogP6.80
Rot. Bonds7

About 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

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 (PubChem CID 126277003) has the molecular formula C34H40N2O4 and a molecular weight of 540.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-phenyl-2-[4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
PubChem CID126277003
Molecular FormulaC34H40N2O4
Molecular Weight540.70 g/mol
Exact Mass540.30
IUPAC NameN-phenyl-2-[4-(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(c2ccc(OCC(=O)Nc3ccccc3)cc2)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C34H40N2O4/c1-6-16-36-25-17-33(2,3)19-27(37)31(25)30(32-26(36)18-34(4,5)20-28(32)38)22-12-14-24(15-13-22)40-21-29(39)35-23-10-8-7-9-11-23/h7-15,30H,6,16-21H2,1-5H3,(H,35,39)
InChIKeyRNAWGUSDPLIMKV-UHFFFAOYSA-N
XLogP6.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.70
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-phenylacetamide
CID 126274314
N-(3,4-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 126275518
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
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
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
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
N-(3-chloro-4-methylphenyl)-2-[2-chloro-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126258853
9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1072592
3-[3,3,6,6-tetramethyl-1,8-dioxo-9-(4-phenylmethoxyphenyl)-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126081893
2-[4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 126274553
2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126270180

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OCC(=O)Nc3ccccc3)cc2)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 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?
The InChIKey is RNAWGUSDPLIMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O4/c1-6-16-36-25-17-33(2,3)19-27(37)31(25)30(32-26(36)18-34(4,5)20-28(32)38)22-12-14-24(15-13-22)40-21-29(39)35-23-10-8-7-9-11-23/h7-15,30H,6,16-21H2,1-5H3,(H,35,39).
What are the key properties of 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?
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 has a molecular weight of 540.70 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126277003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).