2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide

C16H18N4O2 — CID 138115557

IUPAC2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide
SMILESCC(=O)NC(C(=O)N(C)Cc1ccccc1)c1ncccn1
InChIInChI=1S/C16H18N4O2/c1-12(21)19-14(15-17-9-6-10-18-15)16(22)20(2)11-13-7-4-3-5-8-13/h3-10,14H,11H2,1-2H3,(H,19,21)
InChIKeyJVBUETUAHBDVSB-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.31
Rot. Bonds5

About 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide

2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide (PubChem CID 138115557) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide
PubChem CID138115557
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide
SMILESCC(=O)NC(C(=O)N(C)Cc1ccccc1)c1ncccn1
InChIInChI=1S/C16H18N4O2/c1-12(21)19-14(15-17-9-6-10-18-15)16(22)20(2)11-13-7-4-3-5-8-13/h3-10,14H,11H2,1-2H3,(H,19,21)
InChIKeyJVBUETUAHBDVSB-UHFFFAOYSA-N
XLogP1.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 112685507
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2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 4528480
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
tert-butyl N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride
CID 53439137
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
N-[2-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
CID 67652368
N-benzyl-2-(4-fluorophenyl)-N-methyl-2-pyridin-2-ylacetamide
CID 110373544
N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24662353
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CID 2843650

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide?
The IUPAC name of 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide (CID 138115557) is 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide is CC(=O)NC(C(=O)N(C)Cc1ccccc1)c1ncccn1.
What is the InChIKey of 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide?
The InChIKey is JVBUETUAHBDVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12(21)19-14(15-17-9-6-10-18-15)16(22)20(2)11-13-7-4-3-5-8-13/h3-10,14H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide?
2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide has a molecular weight of 298.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-N-methyl-2-pyrimidin-2-ylacetamide is sourced from PubChem (CID 138115557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).