2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide

C29H29N3O5 — CID 122192827

IUPAC2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(CCCCCOc2ccccc2)c1=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H29N3O5/c33-27(30-23-14-16-26(17-15-23)37-25-12-6-2-7-13-25)22-32-28(34)18-20-31(29(32)35)19-8-3-9-21-36-24-10-4-1-5-11-24/h1-2,4-7,10-18,20H,3,8-9,19,21-22H2,(H,30,33)
InChIKeyXCIJQVZLERDVOV-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.69
Rot. Bonds12

About 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide

2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 122192827) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID122192827
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(CCCCCOc2ccccc2)c1=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H29N3O5/c33-27(30-23-14-16-26(17-15-23)37-25-12-6-2-7-13-25)22-32-28(34)18-20-31(29(32)35)19-8-3-9-21-36-24-10-4-1-5-11-24/h1-2,4-7,10-18,20H,3,8-9,19,21-22H2,(H,30,33)
InChIKeyXCIJQVZLERDVOV-UHFFFAOYSA-N
XLogP4.69
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[5-(4-bromophenoxy)pentyl]-2,6-dioxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 122192828
2-[3-[5-(4-cyanophenoxy)pentyl]-2,6-dioxopyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 122192830
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
2-[2-(4-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 50742930
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 16565921
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 60572729
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide (CID 122192827) is 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide is O=C(Cn1c(=O)ccn(CCCCCOc2ccccc2)c1=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is XCIJQVZLERDVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c33-27(30-23-14-16-26(17-15-23)37-25-12-6-2-7-13-25)22-32-28(34)18-20-31(29(32)35)19-8-3-9-21-36-24-10-4-1-5-11-24/h1-2,4-7,10-18,20H,3,8-9,19,21-22H2,(H,30,33).
What are the key properties of 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide?
2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 499.57 g/mol, XLogP of 4.69, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dioxo-3-(5-phenoxypentyl)pyrimidin-1-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 122192827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).