2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide

C18H22N2O2 — CID 27896918

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ncccc2C)ccc1C(C)C
InChIInChI=1S/C18H22N2O2/c1-12(2)16-8-7-15(10-14(16)4)22-11-17(21)20-18-13(3)6-5-9-19-18/h5-10,12H,11H2,1-4H3,(H,19,20,21)
InChIKeyOUAFVQQGCBPDJO-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.84
Rot. Bonds5

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 27896918) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID27896918
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ncccc2C)ccc1C(C)C
InChIInChI=1S/C18H22N2O2/c1-12(2)16-8-7-15(10-14(16)4)22-11-17(21)20-18-13(3)6-5-9-19-18/h5-10,12H,11H2,1-4H3,(H,19,20,21)
InChIKeyOUAFVQQGCBPDJO-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenoxy)-N-(3-methyl-2-pyridinyl)acetamide
CID 47110693
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109443
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-methyl-6-propan-2-ylphenyl)carbamothioyl]acetamide
CID 19188088
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
CID 3303473

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide (CID 27896918) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide is Cc1cc(OCC(=O)Nc2ncccc2C)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is OUAFVQQGCBPDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)16-8-7-15(10-14(16)4)22-11-17(21)20-18-13(3)6-5-9-19-18/h5-10,12H,11H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 27896918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).