2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide

C23H34N6O4 — CID 55639219

IUPAC2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide
SMILESCCCCN(C(=O)CN(C)CC(=O)Nc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H34N6O4/c1-5-6-12-28(20-21(24)29(13-16(2)3)23(33)26-22(20)32)19(31)15-27(4)14-18(30)25-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15,24H2,1-4H3,(H,25,30)(H,26,32,33)
InChIKeyOFYIOGZLLATYTG-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.48
Rot. Bonds11

About 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide

2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide (PubChem CID 55639219) has the molecular formula C23H34N6O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide
PubChem CID55639219
Molecular FormulaC23H34N6O4
Molecular Weight458.56 g/mol
Exact Mass458.26
IUPAC Name2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide
SMILESCCCCN(C(=O)CN(C)CC(=O)Nc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H34N6O4/c1-5-6-12-28(20-21(24)29(13-16(2)3)23(33)26-22(20)32)19(31)15-27(4)14-18(30)25-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15,24H2,1-4H3,(H,25,30)(H,26,32,33)
InChIKeyOFYIOGZLLATYTG-UHFFFAOYSA-N
XLogP1.48
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide with MolForge

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexyl(methyl)amino]acetamide
CID 4818322
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[[(1S)-1,2-diphenylethyl]amino]acetamide
CID 41113416
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654369
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[[(1R)-1,2-diphenylethyl]amino]acetamide
CID 41113419
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(2-chlorophenyl)propanamide
CID 31492440
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 36648831
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylphenoxy)acetamide
CID 26211241
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26211171
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 41079630
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-ethoxybenzamide
CID 26211467
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(3-chloro-2-methylanilino)acetamide
CID 4793250

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide (CID 55639219) is 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide is CCCCN(C(=O)CN(C)CC(=O)Nc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide?
The InChIKey is OFYIOGZLLATYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4/c1-5-6-12-28(20-21(24)29(13-16(2)3)23(33)26-22(20)32)19(31)15-27(4)14-18(30)25-17-10-8-7-9-11-17/h7-11,16H,5-6,12-15,24H2,1-4H3,(H,25,30)(H,26,32,33).
What are the key properties of 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide?
2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide has a molecular weight of 458.56 g/mol, XLogP of 1.48, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]-methylamino]-N-phenylacetamide is sourced from PubChem (CID 55639219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).