2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide

C22H23N3O2 — CID 113017912

IUPAC2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)COc3ccccc3)cn2)c(C)c1
InChIInChI=1S/C22H23N3O2/c1-15-11-16(2)22(17(3)12-15)25-20-10-9-18(13-23-20)24-21(26)14-27-19-7-5-4-6-8-19/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHWZAREZSRMIBGH-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.77
Rot. Bonds6

About 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide

2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide (PubChem CID 113017912) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide
PubChem CID113017912
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)COc3ccccc3)cn2)c(C)c1
InChIInChI=1S/C22H23N3O2/c1-15-11-16(2)22(17(3)12-15)25-20-10-9-18(13-23-20)24-21(26)14-27-19-7-5-4-6-8-19/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHWZAREZSRMIBGH-UHFFFAOYSA-N
XLogP4.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-phenoxyacetamide
CID 113016981
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113019049
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113017290
N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113010076
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113017092
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113009745
2-(2-methoxyphenoxy)-N-[6-(2,4,6-trimethylanilino)pyridazin-3-yl]acetamide
CID 113047016
2-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]propanamide
CID 113017883
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-(4-methylphenoxy)-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011587

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide?
The IUPAC name of 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide (CID 113017912) is 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide is Cc1cc(C)c(Nc2ccc(NC(=O)COc3ccccc3)cn2)c(C)c1.
What is the InChIKey of 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide?
The InChIKey is HWZAREZSRMIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-11-16(2)22(17(3)12-15)25-20-10-9-18(13-23-20)24-21(26)14-27-19-7-5-4-6-8-19/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide?
2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113017912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).