2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide

C22H23N3O3 — CID 136816310

IUPAC2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
SMILESCOc1cccc(CC(=O)NC(Cc2cc(=O)[nH]c(C)n2)c2ccccc2)c1
InChIInChI=1S/C22H23N3O3/c1-15-23-18(14-22(27)24-15)13-20(17-8-4-3-5-9-17)25-21(26)12-16-7-6-10-19(11-16)28-2/h3-11,14,20H,12-13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyJCRNSKWCNJTTMX-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.73
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide

2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide (PubChem CID 136816310) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
PubChem CID136816310
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
SMILESCOc1cccc(CC(=O)NC(Cc2cc(=O)[nH]c(C)n2)c2ccccc2)c1
InChIInChI=1S/C22H23N3O3/c1-15-23-18(14-22(27)24-15)13-20(17-8-4-3-5-9-17)25-21(26)12-16-7-6-10-19(11-16)28-2/h3-11,14,20H,12-13H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyJCRNSKWCNJTTMX-UHFFFAOYSA-N
XLogP2.73
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 136816288
2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136816308
2-(4-methoxyphenyl)-N-[(1S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-1-phenylethyl]acetamide
CID 92555750
N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide
CID 136850324
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-(3-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136891445
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
2-(3-methoxyphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18166755
2-(3-methoxyphenyl)sulfanyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
CID 136662204
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
N-[(1R)-1-(4-chlorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(1-ethylindol-3-yl)acetamide
CID 136735112

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide (CID 136816310) is 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide is COc1cccc(CC(=O)NC(Cc2cc(=O)[nH]c(C)n2)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide?
The InChIKey is JCRNSKWCNJTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-23-18(14-22(27)24-15)13-20(17-8-4-3-5-9-17)25-21(26)12-16-7-6-10-19(11-16)28-2/h3-11,14,20H,12-13H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide?
2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 136816310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).