2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide

C21H21N3O4 — CID 60618424

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21N3O4/c1-15(22-19(25)14-24-13-12-20(26)23(2)21(24)27)16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,22,25)
InChIKeyBWOVJUKKLHKMBN-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.22
Rot. Bonds6

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide (PubChem CID 60618424) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide
PubChem CID60618424
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21N3O4/c1-15(22-19(25)14-24-13-12-20(26)23(2)21(24)27)16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,22,25)
InChIKeyBWOVJUKKLHKMBN-UHFFFAOYSA-N
XLogP2.22
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 33367557
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855815
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
CID 56822670
N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 34443247
N-[(1S)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 34443252
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
2-[4-(4-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(1-phenylethyl)acetamide
CID 51369913
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate
CID 60618425
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide (CID 60618424) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide is CC(NC(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide?
The InChIKey is BWOVJUKKLHKMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-15(22-19(25)14-24-13-12-20(26)23(2)21(24)27)16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 60618424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).