N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide

C20H21N3O3 — CID 46044295

IUPACN-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
SMILESCc1cccc(C2CC(=O)N(CC(=O)NCc3ccccc3)C(=O)N2)c1
InChIInChI=1S/C20H21N3O3/c1-14-6-5-9-16(10-14)17-11-19(25)23(20(26)22-17)13-18(24)21-12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyHYDCVGMZEKGXJI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.29
Rot. Bonds5

About N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide

N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide (PubChem CID 46044295) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
PubChem CID46044295
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
SMILESCc1cccc(C2CC(=O)N(CC(=O)NCc3ccccc3)C(=O)N2)c1
InChIInChI=1S/C20H21N3O3/c1-14-6-5-9-16(10-14)17-11-19(25)23(20(26)22-17)13-18(24)21-12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyHYDCVGMZEKGXJI-UHFFFAOYSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
CID 136575875
3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 93329251
2-[(4S)-2,6-dioxo-4-(3-phenoxyphenyl)-1,3-diazinan-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 25465448
N-[(4-fluorophenyl)methyl]-2-[2-(3-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814453
ethyl (4R)-1-[2-(benzylamino)-2-oxoethyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7347805
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 111334072
3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]benzoic acid
CID 60895323
2-[(3aR,7aR)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-benzylacetamide
CID 778721
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide (CID 46044295) is N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide is Cc1cccc(C2CC(=O)N(CC(=O)NCc3ccccc3)C(=O)N2)c1.
What is the InChIKey of N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide?
The InChIKey is HYDCVGMZEKGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-6-5-9-16(10-14)17-11-19(25)23(20(26)22-17)13-18(24)21-12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide?
N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide is sourced from PubChem (CID 46044295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).