N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide

C17H20N4O4 — CID 169411913

IUPACN-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(-c2cccc(C(=O)NCCNC(C)=O)c2)nc(OC)n1
InChIInChI=1S/C17H20N4O4/c1-11(22)18-7-8-19-16(23)13-6-4-5-12(9-13)14-10-15(24-2)21-17(20-14)25-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyFTOBQRLWMZPTNH-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.03
Rot. Bonds7

About N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide

N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide (PubChem CID 169411913) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide
PubChem CID169411913
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(-c2cccc(C(=O)NCCNC(C)=O)c2)nc(OC)n1
InChIInChI=1S/C17H20N4O4/c1-11(22)18-7-8-19-16(23)13-6-4-5-12(9-13)14-10-15(24-2)21-17(20-14)25-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyFTOBQRLWMZPTNH-UHFFFAOYSA-N
XLogP1.03
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethoxypyrimidin-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 169412556
3-(2,6-dimethoxypyrimidin-4-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
CID 119062713
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide (CID 169411913) is N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide is COc1cc(-c2cccc(C(=O)NCCNC(C)=O)c2)nc(OC)n1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The InChIKey is FTOBQRLWMZPTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11(22)18-7-8-19-16(23)13-6-4-5-12(9-13)14-10-15(24-2)21-17(20-14)25-3/h4-6,9-10H,7-8H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide?
N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide has a molecular weight of 344.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(2,6-dimethoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 169411913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).