N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide

C23H25N3O4 — CID 90515888

IUPACN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(-c2cc(=O)n(CCNC(=O)C(C)Oc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C23H25N3O4/c1-16-5-4-6-20(13-16)30-17(2)23(28)24-11-12-26-15-25-21(14-22(26)27)18-7-9-19(29-3)10-8-18/h4-10,13-15,17H,11-12H2,1-3H3,(H,24,28)
InChIKeyHPZXHYDMKCXBNY-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.81
Rot. Bonds8

About N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 90515888) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
PubChem CID90515888
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
SMILESCOc1ccc(-c2cc(=O)n(CCNC(=O)C(C)Oc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C23H25N3O4/c1-16-5-4-6-20(13-16)30-17(2)23(28)24-11-12-26-15-25-21(14-22(26)27)18-7-9-19(29-3)10-8-18/h4-10,13-15,17H,11-12H2,1-3H3,(H,24,28)
InChIKeyHPZXHYDMKCXBNY-UHFFFAOYSA-N
XLogP2.81
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 90515885
2-(3,5-dimethylphenoxy)-N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]propanamide
CID 121106658
2-(3-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 90515636
2-(3-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515868
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90515855
2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119224
2-chloro-6-fluoro-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzamide
CID 90515800
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 121106664
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 121121158
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90515938
(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 95369177

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide (CID 90515888) is N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide is COc1ccc(-c2cc(=O)n(CCNC(=O)C(C)Oc3cccc(C)c3)cn2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is HPZXHYDMKCXBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-5-4-6-20(13-16)30-17(2)23(28)24-11-12-26-15-25-21(14-22(26)27)18-7-9-19(29-3)10-8-18/h4-10,13-15,17H,11-12H2,1-3H3,(H,24,28).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide?
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 407.47 g/mol, XLogP of 2.81, 8 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 90515888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).