2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C23H30N2O3 — CID 42990078

IUPAC2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H30N2O3/c1-6-16(3)19-9-7-8-10-20(19)28-14-22(27)24-13-21(26)25-23-17(4)11-15(2)12-18(23)5/h7-12,16H,6,13-14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyXCDWXIZOMNAQPJ-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.26
Rot. Bonds8

About 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 42990078) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID42990078
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H30N2O3/c1-6-16(3)19-9-7-8-10-20(19)28-14-22(27)24-13-21(26)25-23-17(4)11-15(2)12-18(23)5/h7-12,16H,6,13-14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyXCDWXIZOMNAQPJ-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
CID 55491511
2-(2-butan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 4937449
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46786994
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 31127033
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-5-methylbenzoic acid
CID 2914637
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoic acid
CID 839384

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 42990078) is 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is CCC(C)c1ccccc1OCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XCDWXIZOMNAQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-16(3)19-9-7-8-10-20(19)28-14-22(27)24-13-21(26)25-23-17(4)11-15(2)12-18(23)5/h7-12,16H,6,13-14H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 42990078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).