2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide

C23H25N3O2 — CID 39027894

IUPAC2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
SMILESCc1nccc(-c2cccc(NC(=O)COc3ccccc3C(C)(C)C)c2)n1
InChIInChI=1S/C23H25N3O2/c1-16-24-13-12-20(25-16)17-8-7-9-18(14-17)26-22(27)15-28-21-11-6-5-10-19(21)23(2,3)4/h5-14H,15H2,1-4H3,(H,26,27)
InChIKeyFGPUXPBPVLEDLU-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.77
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide

2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide (PubChem CID 39027894) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
PubChem CID39027894
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
SMILESCc1nccc(-c2cccc(NC(=O)COc3ccccc3C(C)(C)C)c2)n1
InChIInChI=1S/C23H25N3O2/c1-16-24-13-12-20(25-16)17-8-7-9-18(14-17)26-22(27)15-28-21-11-6-5-10-19(21)23(2,3)4/h5-14H,15H2,1-4H3,(H,26,27)
InChIKeyFGPUXPBPVLEDLU-UHFFFAOYSA-N
XLogP4.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
3-[[2-(2-tert-butylphenoxy)acetyl]amino]benzoate
CID 5123909
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
CID 38310248
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
4-tert-butyl-N-[3-[3-(2-methylpyrimidin-4-yl)anilino]-3-oxopropyl]benzamide
CID 39028780
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
2-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenoxy]-N-ethylacetamide
CID 34870464
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686823
2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
CID 119707145

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide (CID 39027894) is 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide is Cc1nccc(-c2cccc(NC(=O)COc3ccccc3C(C)(C)C)c2)n1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide?
The InChIKey is FGPUXPBPVLEDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-24-13-12-20(25-16)17-8-7-9-18(14-17)26-22(27)15-28-21-11-6-5-10-19(21)23(2,3)4/h5-14H,15H2,1-4H3,(H,26,27).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide?
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide is sourced from PubChem (CID 39027894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).