2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide

C22H23N3O2 — CID 109001458

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide
SMILESCN(CCc1ccncc1)CC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-25(16-13-18-11-14-23-15-12-18)17-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-12,14-15H,13,16-17H2,1H3,(H,24,26)
InChIKeyYNXXIDQNZCJDEN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.99
Rot. Bonds8

About 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide (PubChem CID 109001458) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide
PubChem CID109001458
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide
SMILESCN(CCc1ccncc1)CC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-25(16-13-18-11-14-23-15-12-18)17-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-12,14-15H,13,16-17H2,1H3,(H,24,26)
InChIKeyYNXXIDQNZCJDEN-UHFFFAOYSA-N
XLogP3.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]benzoate
CID 109001431
N-(2,3-dichlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 109001465
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109026228
2-[methyl(prop-2-ynyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 91652977
N-(2-phenoxyphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024062
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 31993096
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide (CID 109001458) is 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide is CN(CCc1ccncc1)CC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is YNXXIDQNZCJDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(16-13-18-11-14-23-15-12-18)17-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-12,14-15H,13,16-17H2,1H3,(H,24,26).
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide?
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 109001458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).