N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide

C24H28N4O4 — CID 4805502

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide
SMILESCCCCN(C(=O)COc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N4O4/c1-3-4-14-27(20(29)16-32-19-13-9-8-10-17(19)2)21-22(25)28(24(31)26-23(21)30)15-18-11-6-5-7-12-18/h5-13H,3-4,14-16,25H2,1-2H3,(H,26,30,31)
InChIKeySVFOVMSTRZMZMA-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.69
Rot. Bonds9

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide (PubChem CID 4805502) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide
PubChem CID4805502
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide
SMILESCCCCN(C(=O)COc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H28N4O4/c1-3-4-14-27(20(29)16-32-19-13-9-8-10-17(19)2)21-22(25)28(24(31)26-23(21)30)15-18-11-6-5-7-12-18/h5-13H,3-4,14-16,25H2,1-2H3,(H,26,30,31)
InChIKeySVFOVMSTRZMZMA-UHFFFAOYSA-N
XLogP2.69
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 4805501
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-(3-methoxypropyl)-3-(2-methylphenoxy)propanamide
CID 24687151
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylanilino)acetamide
CID 26416357
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 25162787
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)-N-methyl-4-(2-methylphenoxy)butanamide
CID 55537745
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylphenoxy)acetamide
CID 26211241
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethylbenzamide
CID 4816306
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-chlorophenoxy)-N-(3-methoxypropyl)acetamide
CID 42970323
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-phenoxyacetamide
CID 4805512
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylphenoxy)-N-(3-methoxypropyl)propanamide
CID 39090858

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide (CID 4805502) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide is CCCCN(C(=O)COc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide?
The InChIKey is SVFOVMSTRZMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-4-14-27(20(29)16-32-19-13-9-8-10-17(19)2)21-22(25)28(24(31)26-23(21)30)15-18-11-6-5-7-12-18/h5-13H,3-4,14-16,25H2,1-2H3,(H,26,30,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide has a molecular weight of 436.51 g/mol, XLogP of 2.69, 9 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)-N-butyl-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 4805502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).