2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

C25H29N5O4 — CID 71902916

IUPAC2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C25H29N5O4/c1-4-18-12-8-9-13-19(18)27-21(32)16-28(2)15-20(31)22-23(26)30(25(34)29(3)24(22)33)14-17-10-6-5-7-11-17/h5-13H,4,14-16,26H2,1-3H3,(H,27,32)
InChIKeySFAAKGDTAHVGQO-UHFFFAOYSA-N
MW463.54 g/mol
LogP1.49
Rot. Bonds9

About 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 71902916) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID71902916
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C25H29N5O4/c1-4-18-12-8-9-13-19(18)27-21(32)16-28(2)15-20(31)22-23(26)30(25(34)29(3)24(22)33)14-17-10-6-5-7-11-17/h5-13H,4,14-16,26H2,1-3H3,(H,27,32)
InChIKeySFAAKGDTAHVGQO-UHFFFAOYSA-N
XLogP1.49
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867
6-amino-1-benzyl-5-[2-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067
6-amino-1-benzyl-5-[2-[cycloheptyl(methyl)amino]acetyl]-3-methylpyrimidine-2,4-dione
CID 16577799
6-amino-1-benzyl-5-[2-[(4-bromothiophen-2-yl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 55841447
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9303703
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4851015
6-amino-1-benzyl-3-methyl-5-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 56509256
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 4592474
6-amino-5-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 31374340
2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-3-methylbutanamide
CID 169167801
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide (CID 71902916) is 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is SFAAKGDTAHVGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-4-18-12-8-9-13-19(18)27-21(32)16-28(2)15-20(31)22-23(26)30(25(34)29(3)24(22)33)14-17-10-6-5-7-11-17/h5-13H,4,14-16,26H2,1-3H3,(H,27,32).
What are the key properties of 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 463.54 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 71902916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).