N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide

C22H22Cl2N4O4 — CID 43077482

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Oc1cccc(Cl)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H22Cl2N4O4/c1-3-27(21(30)13(2)32-16-11-7-10-15(23)17(16)24)18-19(25)28(22(31)26-20(18)29)12-14-8-5-4-6-9-14/h4-11,13H,3,12,25H2,1-2H3,(H,26,29,31)
InChIKeyWVWUZNNEWQIREK-UHFFFAOYSA-N
MW477.35 g/mol
LogP3.29
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide (PubChem CID 43077482) has the molecular formula C22H22Cl2N4O4 and a molecular weight of 477.35 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide
PubChem CID43077482
Molecular FormulaC22H22Cl2N4O4
Molecular Weight477.35 g/mol
Exact Mass476.10
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Oc1cccc(Cl)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H22Cl2N4O4/c1-3-27(21(30)13(2)32-16-11-7-10-15(23)17(16)24)18-19(25)28(22(31)26-20(18)29)12-14-8-5-4-6-9-14/h4-11,13H,3,12,25H2,1-2H3,(H,26,29,31)
InChIKeyWVWUZNNEWQIREK-UHFFFAOYSA-N
XLogP3.29
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(difluoromethoxy)-N-ethylbenzamide
CID 26175777
(2S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-bromophenoxy)propanamide
CID 97289146
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 2698609
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 55335384
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2-chlorophenoxy)-N-propylacetamide
CID 4814880
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-cyanophenoxy)propanamide
CID 16548966
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-methylpentanamide
CID 112761031
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 26175947
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide
CID 46806954
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,6-dichlorophenyl)acetamide
CID 4816310
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethyl-N-propylbutanamide
CID 9464677
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 43056155

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide (CID 43077482) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide is CCN(C(=O)C(C)Oc1cccc(Cl)c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide?
The InChIKey is WVWUZNNEWQIREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O4/c1-3-27(21(30)13(2)32-16-11-7-10-15(23)17(16)24)18-19(25)28(22(31)26-20(18)29)12-14-8-5-4-6-9-14/h4-11,13H,3,12,25H2,1-2H3,(H,26,29,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide has a molecular weight of 477.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dichlorophenoxy)-N-ethylpropanamide is sourced from PubChem (CID 43077482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).