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

C21H27N3O3 — CID 155538548

IUPAC2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccncc2)C(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-5-17-6-8-19(9-7-17)27-15-21(26)24(16(2)3)14-20(25)23-18-10-12-22-13-11-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23,25)
InChIKeyYSHTXFHSWVQKBV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.29
Rot. Bonds9

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

2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide (PubChem CID 155538548) 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-4-ylacetamide.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide
PubChem CID155538548
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccncc2)C(C)C)cc1
InChIInChI=1S/C21H27N3O3/c1-4-5-17-6-8-19(9-7-17)27-15-21(26)24(16(2)3)14-20(25)23-18-10-12-22-13-11-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23,25)
InChIKeyYSHTXFHSWVQKBV-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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Related Compounds

11C-Pbr-28
CID 11653141
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
Ro 24-0238
CID 6439060
Nalpha-[trans-4-(Aminomethyl)cyclohexane-1-Carbonyl]-N-Octyl-O-[(Pyridin-4-Yl)methyl]-L-Tyrosinamide
CID 10697355
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
CID 76071870
N-Pyridin-4-yl-2-p-tolyloxy-acetamide
CID 572152
2-(4-Methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 717251
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
2-[3-(3-methylbutoxy)phenoxy]-N-pyridin-4-ylacetamide
CID 2323706
2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
N-((2-(2-(Fluoro-18F)ethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide
CID 24875298
N-(4-(benzyloxy)phenethyl)pyridin-4-amine
CID 44292136

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide (CID 155538548) is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide is CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccncc2)C(C)C)cc1.
What is the InChIKey of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide?
The InChIKey is YSHTXFHSWVQKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-5-17-6-8-19(9-7-17)27-15-21(26)24(16(2)3)14-20(25)23-18-10-12-22-13-11-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23,25).
What are the key properties of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide?
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-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-4-ylacetamide is sourced from PubChem (CID 155538548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).