3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide

C23H24N4O4 — CID 112827568

IUPAC3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C23H24N4O4/c1-2-24-22(30)19-10-6-9-18(13-19)14-25-20(28)16-27-21(29)11-12-26(23(27)31)15-17-7-4-3-5-8-17/h3-13H,2,14-16H2,1H3,(H,24,30)(H,25,28)
InChIKeyIFLYOSOQRPILRP-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.12
Rot. Bonds8

About 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide

3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide (PubChem CID 112827568) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
PubChem CID112827568
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C23H24N4O4/c1-2-24-22(30)19-10-6-9-18(13-19)14-25-20(28)16-27-21(29)11-12-26(23(27)31)15-17-7-4-3-5-8-17/h3-13H,2,14-16H2,1H3,(H,24,30)(H,25,28)
InChIKeyIFLYOSOQRPILRP-UHFFFAOYSA-N
XLogP1.12
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide 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-(3-phenylpropyl)acetamide
CID 29353373
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63810746
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 9276978
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 112809609
N'-[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277211

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide (CID 112827568) is 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide?
The InChIKey is IFLYOSOQRPILRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-2-24-22(30)19-10-6-9-18(13-19)14-25-20(28)16-27-21(29)11-12-26(23(27)31)15-17-7-4-3-5-8-17/h3-13H,2,14-16H2,1H3,(H,24,30)(H,25,28).
What are the key properties of 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide?
3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide has a molecular weight of 420.47 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 112827568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).