2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide

C20H27N3O3 — CID 71625205

IUPAC2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide
SMILESCN(CCO)c1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C20H27N3O3/c1-20(2,3)15-6-5-7-17(12-15)26-14-19(25)22-16-8-9-18(21-13-16)23(4)10-11-24/h5-9,12-13,24H,10-11,14H2,1-4H3,(H,22,25)
InChIKeyLZDJIRVODCZALV-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.83
Rot. Bonds7

About 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide

2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide (PubChem CID 71625205) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide
PubChem CID71625205
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide
SMILESCN(CCO)c1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C20H27N3O3/c1-20(2,3)15-6-5-7-17(12-15)26-14-19(25)22-16-8-9-18(21-13-16)23(4)10-11-24/h5-9,12-13,24H,10-11,14H2,1-4H3,(H,22,25)
InChIKeyLZDJIRVODCZALV-UHFFFAOYSA-N
XLogP2.83
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71625320
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
methyl 3-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977645
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methoxyphenoxy)acetamide
CID 46699606
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-(3-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 42989700
S-[2-[[2-(3-tert-butylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579704
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(3-tert-butylphenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 112977615

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide (CID 71625205) is 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide is CN(CCO)c1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cn1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide?
The InChIKey is LZDJIRVODCZALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-20(2,3)15-6-5-7-17(12-15)26-14-19(25)22-16-8-9-18(21-13-16)23(4)10-11-24/h5-9,12-13,24H,10-11,14H2,1-4H3,(H,22,25).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide?
2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 71625205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).