2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

C20H26N2O2 — CID 24765309

IUPAC2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C20H26N2O2/c1-14(18-11-10-17(24-5)13-21-18)22-19(23)12-15-6-8-16(9-7-15)20(2,3)4/h6-11,13-14H,12H2,1-5H3,(H,22,23)/t14-/m1/s1
InChIKeyXNJZKWRGHNXPBD-CQSZACIVSA-N
MW326.44 g/mol
LogP3.81
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide

2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (PubChem CID 24765309) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
PubChem CID24765309
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C20H26N2O2/c1-14(18-11-10-17(24-5)13-21-18)22-19(23)12-15-6-8-16(9-7-15)20(2,3)4/h6-11,13-14H,12H2,1-5H3,(H,22,23)/t14-/m1/s1
InChIKeyXNJZKWRGHNXPBD-CQSZACIVSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide (CID 24765309) is 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
The InChIKey is XNJZKWRGHNXPBD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(18-11-10-17(24-5)13-21-18)22-19(23)12-15-6-8-16(9-7-15)20(2,3)4/h6-11,13-14H,12H2,1-5H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide?
2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 24765309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).