2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide

C24H29NO4 — CID 108765439

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c(C(C)(C)C)c1
InChIInChI=1S/C24H29NO4/c1-15-7-9-21(18(11-15)23(2,3)4)28-14-22(27)25-16-8-10-20-17(12-16)19(26)13-24(5,6)29-20/h7-12H,13-14H2,1-6H3,(H,25,27)
InChIKeyILFQPTKKJFWABN-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.05
Rot. Bonds4

About 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide

2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide (PubChem CID 108765439) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide
PubChem CID108765439
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c(C(C)(C)C)c1
InChIInChI=1S/C24H29NO4/c1-15-7-9-21(18(11-15)23(2,3)4)28-14-22(27)25-16-8-10-20-17(12-16)19(26)13-24(5,6)29-20/h7-12H,13-14H2,1-6H3,(H,25,27)
InChIKeyILFQPTKKJFWABN-UHFFFAOYSA-N
XLogP5.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 108743056
4-(2,4-dichlorophenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)butanamide
CID 108742978
2-(2-tert-butyl-5-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 675188
(E)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-3-(4-methylphenyl)prop-2-enamide
CID 108765411
4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-3-hydroxybenzoic acid
CID 108766535
2-(2-methoxy-4-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 55453591
N-[[4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923158
tert-butyl N-[3-[[4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920485
diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108762186
N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925179
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide (CID 108765439) is 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide?
The InChIKey is ILFQPTKKJFWABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-15-7-9-21(18(11-15)23(2,3)4)28-14-22(27)25-16-8-10-20-17(12-16)19(26)13-24(5,6)29-20/h7-12H,13-14H2,1-6H3,(H,25,27).
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide is sourced from PubChem (CID 108765439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).