3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide

C20H26N2O4 — CID 86857686

IUPAC3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
SMILESCC(C)OCCOCc1cccc(NC(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C20H26N2O4/c1-16(2)26-13-12-25-15-17-6-5-7-18(14-17)21-19(23)9-11-22-10-4-3-8-20(22)24/h3-8,10,14,16H,9,11-13,15H2,1-2H3,(H,21,23)
InChIKeyYNIGTVJAPYUTQB-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.82
Rot. Bonds10

About 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide

3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide (PubChem CID 86857686) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
PubChem CID86857686
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
SMILESCC(C)OCCOCc1cccc(NC(=O)CCn2ccccc2=O)c1
InChIInChI=1S/C20H26N2O4/c1-16(2)26-13-12-25-15-17-6-5-7-18(14-17)21-19(23)9-11-22-10-4-3-8-20(22)24/h3-8,10,14,16H,9,11-13,15H2,1-2H3,(H,21,23)
InChIKeyYNIGTVJAPYUTQB-UHFFFAOYSA-N
XLogP2.82
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.82
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

N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438
N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
CID 86861957
3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
CID 119754191
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 119754179
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387
2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 120590524
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
CID 87006402
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
4-(methoxymethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]piperidine-4-carboxamide
CID 120626246
1-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119306444

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The IUPAC name of 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide (CID 86857686) is 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide is CC(C)OCCOCc1cccc(NC(=O)CCn2ccccc2=O)c1.
What is the InChIKey of 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
The InChIKey is YNIGTVJAPYUTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-16(2)26-13-12-25-15-17-6-5-7-18(14-17)21-19(23)9-11-22-10-4-3-8-20(22)24/h3-8,10,14,16H,9,11-13,15H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide?
3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 86857686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).