N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide

C18H23N3O4 — CID 122304420

IUPACN-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCOc1ncc(NC(=O)CCc2ccc(OC)cc2)c(OCC)n1
InChIInChI=1S/C18H23N3O4/c1-4-24-17-15(12-19-18(21-17)25-5-2)20-16(22)11-8-13-6-9-14(23-3)10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,22)
InChIKeyLGXNSSLIYBTUTO-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.85
Rot. Bonds9

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

N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 122304420) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID122304420
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCOc1ncc(NC(=O)CCc2ccc(OC)cc2)c(OCC)n1
InChIInChI=1S/C18H23N3O4/c1-4-24-17-15(12-19-18(21-17)25-5-2)20-16(22)11-8-13-6-9-14(23-3)10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,22)
InChIKeyLGXNSSLIYBTUTO-UHFFFAOYSA-N
XLogP2.85
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
CID 122304278
2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
CID 122304290
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 26159691
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
CID 92677057
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
3-(4-ethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47378490
ethyl 4-[3-(4-methoxyphenyl)propanoylamino]-3-methylbenzoate
CID 100591736

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide (CID 122304420) is N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide is CCOc1ncc(NC(=O)CCc2ccc(OC)cc2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is LGXNSSLIYBTUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-24-17-15(12-19-18(21-17)25-5-2)20-16(22)11-8-13-6-9-14(23-3)10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide?
N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.85, 9 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-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 122304420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).