2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide

C18H23N3O3 — CID 47066335

IUPAC2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide
SMILESCCOCCOC(C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C18H23N3O3/c1-4-23-10-11-24-13(2)18(22)21-16-7-5-6-15(12-16)17-8-9-19-14(3)20-17/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)
InChIKeyZUYRNLPQNVWRQC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds8

About 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide

2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide (PubChem CID 47066335) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide
PubChem CID47066335
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide
SMILESCCOCCOC(C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C18H23N3O3/c1-4-23-10-11-24-13(2)18(22)21-16-7-5-6-15(12-16)17-8-9-19-14(3)20-17/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22)
InChIKeyZUYRNLPQNVWRQC-UHFFFAOYSA-N
XLogP2.83
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
CID 119707145
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 122138158
N-(4-butan-2-ylphenyl)-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
CID 112822811
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
3-bromo-4-ethoxy-5-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259896
4-acetyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,4-diazepane-1-carboxamide
CID 72874124
4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide
CID 119707150

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide (CID 47066335) is 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide is CCOCCOC(C)C(=O)Nc1cccc(-c2ccnc(C)n2)c1.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide?
The InChIKey is ZUYRNLPQNVWRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-23-10-11-24-13(2)18(22)21-16-7-5-6-15(12-16)17-8-9-19-14(3)20-17/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide?
2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide is sourced from PubChem (CID 47066335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).