2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide

C18H21IN2O2 — CID 39378744

IUPAC2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ncc(I)cc2C)cc1
InChIInChI=1S/C18H21IN2O2/c1-4-12(2)14-5-7-16(8-6-14)23-11-17(22)21-18-13(3)9-15(19)10-20-18/h5-10,12H,4,11H2,1-3H3,(H,20,21,22)/t12-/m0/s1
InChIKeyDICISJNLXQZCNZ-LBPRGKRZSA-N
MW424.28 g/mol
LogP4.53
Rot. Bonds6

About 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide

2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide (PubChem CID 39378744) has the molecular formula C18H21IN2O2 and a molecular weight of 424.28 g/mol. Its IUPAC name is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
PubChem CID39378744
Molecular FormulaC18H21IN2O2
Molecular Weight424.28 g/mol
Exact Mass424.06
IUPAC Name2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2ncc(I)cc2C)cc1
InChIInChI=1S/C18H21IN2O2/c1-4-12(2)14-5-7-16(8-6-14)23-11-17(22)21-18-13(3)9-15(19)10-20-18/h5-10,12H,4,11H2,1-3H3,(H,20,21,22)/t12-/m0/s1
InChIKeyDICISJNLXQZCNZ-LBPRGKRZSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-(4-butan-2-ylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 22780659
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
CID 40553112
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]acetamide
CID 135925942
methyl 3-[2-[2-(4-butan-2-ylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 43886949
2-(4-butan-2-ylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17361593
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
dimethyl 5-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 1017628

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide (CID 39378744) is 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2ncc(I)cc2C)cc1.
What is the InChIKey of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide?
The InChIKey is DICISJNLXQZCNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21IN2O2/c1-4-12(2)14-5-7-16(8-6-14)23-11-17(22)21-18-13(3)9-15(19)10-20-18/h5-10,12H,4,11H2,1-3H3,(H,20,21,22)/t12-/m0/s1.
What are the key properties of 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide?
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide has a molecular weight of 424.28 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-butan-2-yl]phenoxy]-N-(5-iodo-3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 39378744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).