2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide

C21H28ClN3O4 — CID 110171545

IUPAC2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide
SMILESCCCCn1c(C)c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(CCCC)c1=O
InChIInChI=1S/C21H28ClN3O4/c1-4-6-12-24-15(3)19(20(27)25(21(24)28)13-7-5-2)23-18(26)14-29-17-10-8-16(22)9-11-17/h8-11H,4-7,12-14H2,1-3H3,(H,23,26)
InChIKeyHWGLEYOEVZJIEJ-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.59
Rot. Bonds10

About 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide

2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide (PubChem CID 110171545) has the molecular formula C21H28ClN3O4 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide
PubChem CID110171545
Molecular FormulaC21H28ClN3O4
Molecular Weight421.93 g/mol
Exact Mass421.18
IUPAC Name2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide
SMILESCCCCn1c(C)c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(CCCC)c1=O
InChIInChI=1S/C21H28ClN3O4/c1-4-6-12-24-15(3)19(20(27)25(21(24)28)13-7-5-2)23-18(26)14-29-17-10-8-16(22)9-11-17/h8-11H,4-7,12-14H2,1-3H3,(H,23,26)
InChIKeyHWGLEYOEVZJIEJ-UHFFFAOYSA-N
XLogP3.59
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide with MolForge

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Related Compounds

2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 110171556
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
methyl 4-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748765
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
2-(4-chlorophenoxy)-N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112722

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide (CID 110171545) is 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide is CCCCn1c(C)c(NC(=O)COc2ccc(Cl)cc2)c(=O)n(CCCC)c1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide?
The InChIKey is HWGLEYOEVZJIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O4/c1-4-6-12-24-15(3)19(20(27)25(21(24)28)13-7-5-2)23-18(26)14-29-17-10-8-16(22)9-11-17/h8-11H,4-7,12-14H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide has a molecular weight of 421.93 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,3-dibutyl-4-methyl-2,6-dioxopyrimidin-5-yl)acetamide is sourced from PubChem (CID 110171545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).