N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide

C24H27N3O4 — CID 90515855

IUPACN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(-c2cc(=O)n(CCNC(=O)COc3ccc(C(C)C)cc3)cn2)cc1
InChIInChI=1S/C24H27N3O4/c1-17(2)18-4-10-21(11-5-18)31-15-23(28)25-12-13-27-16-26-22(14-24(27)29)19-6-8-20(30-3)9-7-19/h4-11,14,16-17H,12-13,15H2,1-3H3,(H,25,28)
InChIKeyQPXXMBDOHYTAEP-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.24
Rot. Bonds9

About N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 90515855) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID90515855
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc(-c2cc(=O)n(CCNC(=O)COc3ccc(C(C)C)cc3)cn2)cc1
InChIInChI=1S/C24H27N3O4/c1-17(2)18-4-10-21(11-5-18)31-15-23(28)25-12-13-27-16-26-22(14-24(27)29)19-6-8-20(30-3)9-7-19/h4-11,14,16-17H,12-13,15H2,1-3H3,(H,25,28)
InChIKeyQPXXMBDOHYTAEP-UHFFFAOYSA-N
XLogP3.24
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515868
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 90515885
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 121106664
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 121106546
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 121106620
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide
CID 90515846
2-(4-acetyl-2-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515853
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515745
2-(4-bromophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515797

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 90515855) is N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide is COc1ccc(-c2cc(=O)n(CCNC(=O)COc3ccc(C(C)C)cc3)cn2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is QPXXMBDOHYTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17(2)18-4-10-21(11-5-18)31-15-23(28)25-12-13-27-16-26-22(14-24(27)29)19-6-8-20(30-3)9-7-19/h4-11,14,16-17H,12-13,15H2,1-3H3,(H,25,28).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 421.50 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 90515855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).