N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide

C15H17N3O4 — CID 171646893

IUPACN-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2[nH]c(=O)ncc2C)cc1
InChIInChI=1S/C15H17N3O4/c1-10-7-17-15(20)18-14(10)22-9-13(19)16-8-11-3-5-12(21-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyMYEXDEHRSIXFPN-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.78
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide

N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide (PubChem CID 171646893) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide
PubChem CID171646893
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide
SMILESCOc1ccc(CNC(=O)COc2[nH]c(=O)ncc2C)cc1
InChIInChI=1S/C15H17N3O4/c1-10-7-17-15(20)18-14(10)22-9-13(19)16-8-11-3-5-12(21-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyMYEXDEHRSIXFPN-UHFFFAOYSA-N
XLogP0.78
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 56782708
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide (CID 171646893) is N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide is COc1ccc(CNC(=O)COc2[nH]c(=O)ncc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide?
The InChIKey is MYEXDEHRSIXFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-7-17-15(20)18-14(10)22-9-13(19)16-8-11-3-5-12(21-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)oxy]acetamide is sourced from PubChem (CID 171646893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).