2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide

C20H26N4O3 — CID 155539965

IUPAC2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2cncnc2)C(C)C)cc1
InChIInChI=1S/C20H26N4O3/c1-4-5-16-6-8-18(9-7-16)27-13-20(26)24(15(2)3)12-19(25)23-17-10-21-14-22-11-17/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyYXENAGROXKSGSK-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.68
Rot. Bonds9

About 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide

2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide (PubChem CID 155539965) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide
PubChem CID155539965
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2cncnc2)C(C)C)cc1
InChIInChI=1S/C20H26N4O3/c1-4-5-16-6-8-18(9-7-16)27-13-20(26)24(15(2)3)12-19(25)23-17-10-21-14-22-11-17/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,25)
InChIKeyYXENAGROXKSGSK-UHFFFAOYSA-N
XLogP2.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide (CID 155539965) is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide is CCCc1ccc(OCC(=O)N(CC(=O)Nc2cncnc2)C(C)C)cc1.
What is the InChIKey of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide?
The InChIKey is YXENAGROXKSGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-5-16-6-8-18(9-7-16)27-13-20(26)24(15(2)3)12-19(25)23-17-10-21-14-22-11-17/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,25).
What are the key properties of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide?
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide has a molecular weight of 370.45 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 155539965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).