2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide

C21H27N3O3 — CID 155527614

IUPAC2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccccn2)C(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-7-17-9-11-18(12-10-17)27-15-21(26)24(16(2)3)14-20(25)23-19-8-5-6-13-22-19/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,22,23,25)
InChIKeyVQWXCMFJIOFGEM-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.29
Rot. Bonds9

About 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide

2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide (PubChem CID 155527614) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide
PubChem CID155527614
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccccn2)C(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-7-17-9-11-18(12-10-17)27-15-21(26)24(16(2)3)14-20(25)23-19-8-5-6-13-22-19/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,22,23,25)
InChIKeyVQWXCMFJIOFGEM-UHFFFAOYSA-N
XLogP3.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide (CID 155527614) is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide is CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccccn2)C(C)C)cc1.
What is the InChIKey of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide?
The InChIKey is VQWXCMFJIOFGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-7-17-9-11-18(12-10-17)27-15-21(26)24(16(2)3)14-20(25)23-19-8-5-6-13-22-19/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,22,23,25).
What are the key properties of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide?
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide has a molecular weight of 369.47 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 155527614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).