2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C24H30N2O3 — CID 17093269

IUPAC2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-24(2,3)18-11-13-19(14-12-18)29-17-22(27)25-21-10-6-5-9-20(21)23(28)26-15-7-8-16-26/h5-6,9-14H,4,7-8,15-17H2,1-3H3,(H,25,27)
InChIKeyILIUWMUGFSSSKE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.63
Rot. Bonds7

About 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 17093269) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID17093269
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-24(2,3)18-11-13-19(14-12-18)29-17-22(27)25-21-10-6-5-9-20(21)23(28)26-15-7-8-16-26/h5-6,9-14H,4,7-8,15-17H2,1-3H3,(H,25,27)
InChIKeyILIUWMUGFSSSKE-UHFFFAOYSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
N-ethyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093296
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
N-(2-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093259
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
N-cyclohexyl-N-methyl-2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzamide
CID 17093283
N-(2-ethoxyphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17341028
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 21367678

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 17093269) is 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is ILIUWMUGFSSSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-24(2,3)18-11-13-19(14-12-18)29-17-22(27)25-21-10-6-5-9-20(21)23(28)26-15-7-8-16-26/h5-6,9-14H,4,7-8,15-17H2,1-3H3,(H,25,27).
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17093269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).