N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide

C18H23N3O3 — CID 122304278

IUPACN-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
SMILESCCOc1ncc(NC(=O)CCCc2ccccc2)c(OCC)n1
InChIInChI=1S/C18H23N3O3/c1-3-23-17-15(13-19-18(21-17)24-4-2)20-16(22)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,20,22)
InChIKeyJDXHMYPJVULSMH-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.24
Rot. Bonds9

About N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide

N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide (PubChem CID 122304278) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
PubChem CID122304278
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
SMILESCCOc1ncc(NC(=O)CCCc2ccccc2)c(OCC)n1
InChIInChI=1S/C18H23N3O3/c1-3-23-17-15(13-19-18(21-17)24-4-2)20-16(22)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,20,22)
InChIKeyJDXHMYPJVULSMH-UHFFFAOYSA-N
XLogP3.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-diethoxypyrimidin-5-yl)-3-(4-methoxyphenyl)propanamide
CID 122304420
1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 71807618
N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide
CID 122304294
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
2-(4-chlorophenoxy)-N-(2,4-diethoxypyrimidin-5-yl)acetamide
CID 122304290
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-[2-(chloromethyl)phenyl]-4-phenylbutanamide
CID 114298062
N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
CID 122304432
N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
CID 107300978
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
CID 122304435
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide (CID 122304278) is N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide is CCOc1ncc(NC(=O)CCCc2ccccc2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide?
The InChIKey is JDXHMYPJVULSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-23-17-15(13-19-18(21-17)24-4-2)20-16(22)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide?
N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide is sourced from PubChem (CID 122304278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).