2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide

C23H26N4O3 — CID 112826982

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
SMILESCC(CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)N(C)c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-18(25(2)20-11-7-4-8-12-20)15-24-21(28)17-27-22(29)13-14-26(23(27)30)16-19-9-5-3-6-10-19/h3-14,18H,15-17H2,1-2H3,(H,24,28)
InChIKeyASXJKWMPOQTYHT-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.70
Rot. Bonds8

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide (PubChem CID 112826982) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
PubChem CID112826982
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
SMILESCC(CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)N(C)c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-18(25(2)20-11-7-4-8-12-20)15-24-21(28)17-27-22(29)13-14-26(23(27)30)16-19-9-5-3-6-10-19/h3-14,18H,15-17H2,1-2H3,(H,24,28)
InChIKeyASXJKWMPOQTYHT-UHFFFAOYSA-N
XLogP1.70
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 60735082
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9137000
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
CID 112827568
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 166207049

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide (CID 112826982) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide is CC(CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)N(C)c1ccccc1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide?
The InChIKey is ASXJKWMPOQTYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-18(25(2)20-11-7-4-8-12-20)15-24-21(28)17-27-22(29)13-14-26(23(27)30)16-19-9-5-3-6-10-19/h3-14,18H,15-17H2,1-2H3,(H,24,28).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 112826982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).