2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide

C21H28N2O2 — CID 24765020

IUPAC2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide
SMILESCCCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C21H28N2O2/c1-5-12-25-19-10-11-20(22-14-19)16(4)23-21(24)13-17-6-8-18(9-7-17)15(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyGDSIFSHJOGQYAM-MRXNPFEDSA-N
MW340.47 g/mol
LogP4.41
Rot. Bonds8

About 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide

2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide (PubChem CID 24765020) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide
PubChem CID24765020
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide
SMILESCCCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C21H28N2O2/c1-5-12-25-19-10-11-20(22-14-19)16(4)23-21(24)13-17-6-8-18(9-7-17)15(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyGDSIFSHJOGQYAM-MRXNPFEDSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide (CID 24765020) is 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide is CCCOc1ccc([C@@H](C)NC(=O)Cc2ccc(C(C)C)cc2)nc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide?
The InChIKey is GDSIFSHJOGQYAM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-12-25-19-10-11-20(22-14-19)16(4)23-21(24)13-17-6-8-18(9-7-17)15(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide?
2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 24765020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).