N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide

C16H19N3O4 — CID 122304259

IUPACN-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide
SMILESCCOc1ncc(NC(=O)c2cccc(OC)c2)c(OCC)n1
InChIInChI=1S/C16H19N3O4/c1-4-22-15-13(10-17-16(19-15)23-5-2)18-14(20)11-7-6-8-12(9-11)21-3/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyAULRVYASRQCFJB-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.53
Rot. Bonds7

About N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide

N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide (PubChem CID 122304259) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide
PubChem CID122304259
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide
SMILESCCOc1ncc(NC(=O)c2cccc(OC)c2)c(OCC)n1
InChIInChI=1S/C16H19N3O4/c1-4-22-15-13(10-17-16(19-15)23-5-2)18-14(20)11-7-6-8-12(9-11)21-3/h6-10H,4-5H2,1-3H3,(H,18,20)
InChIKeyAULRVYASRQCFJB-UHFFFAOYSA-N
XLogP2.53
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
CID 122304435
N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide
CID 122304420
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
N-(5-iodo-2-methylphenyl)-3-methoxybenzamide
CID 1047120
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
3-methoxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507956

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide (CID 122304259) is N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide is CCOc1ncc(NC(=O)c2cccc(OC)c2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide?
The InChIKey is AULRVYASRQCFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-22-15-13(10-17-16(19-15)23-5-2)18-14(20)11-7-6-8-12(9-11)21-3/h6-10H,4-5H2,1-3H3,(H,18,20).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide?
N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide has a molecular weight of 317.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 122304259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).