2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide

C23H25ClN6O4 — CID 2469805

IUPAC2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25ClN6O4/c1-28(13-18(31)26-17-11-7-6-10-16(17)24)14-19(32)29(2)20-21(25)30(23(34)27-22(20)33)12-15-8-4-3-5-9-15/h3-11H,12-14,25H2,1-2H3,(H,26,31)(H,27,33,34)
InChIKeyHTLKPUVCPYSAJB-UHFFFAOYSA-N
MW484.94 g/mol
LogP1.35
Rot. Bonds8

About 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide

2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 2469805) has the molecular formula C23H25ClN6O4 and a molecular weight of 484.94 g/mol. Its IUPAC name is 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID2469805
Molecular FormulaC23H25ClN6O4
Molecular Weight484.94 g/mol
Exact Mass484.16
IUPAC Name2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25ClN6O4/c1-28(13-18(31)26-17-11-7-6-10-16(17)24)14-19(32)29(2)20-21(25)30(23(34)27-22(20)33)12-15-8-4-3-5-9-15/h3-11H,12-14,25H2,1-2H3,(H,26,31)(H,27,33,34)
InChIKeyHTLKPUVCPYSAJB-UHFFFAOYSA-N
XLogP1.35
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 52946739
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2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dichlorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide (CID 2469805) is 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide is CN(CC(=O)Nc1ccccc1Cl)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is HTLKPUVCPYSAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O4/c1-28(13-18(31)26-17-11-7-6-10-16(17)24)14-19(32)29(2)20-21(25)30(23(34)27-22(20)33)12-15-8-4-3-5-9-15/h3-11H,12-14,25H2,1-2H3,(H,26,31)(H,27,33,34).
What are the key properties of 2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide?
2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 484.94 g/mol, XLogP of 1.35, 8 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-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 2469805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).