3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide

C17H22N4O2 — CID 51092705

IUPAC3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide
SMILESCc1cccc(OCCC(=O)NCCNc2cnccn2)c1C
InChIInChI=1S/C17H22N4O2/c1-13-4-3-5-15(14(13)2)23-11-6-17(22)21-10-9-20-16-12-18-7-8-19-16/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZBOLTGKPGUSUFM-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.09
Rot. Bonds8

About 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide

3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide (PubChem CID 51092705) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide
PubChem CID51092705
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide
SMILESCc1cccc(OCCC(=O)NCCNc2cnccn2)c1C
InChIInChI=1S/C17H22N4O2/c1-13-4-3-5-15(14(13)2)23-11-6-17(22)21-10-9-20-16-12-18-7-8-19-16/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyZBOLTGKPGUSUFM-UHFFFAOYSA-N
XLogP2.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethylphenoxy)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55595653
3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108572559
6-methyl-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-2-carboxamide
CID 38583271
N-(3,3-difluoro-2-hydroxypropyl)-3-(2,3-dimethylphenoxy)propanamide
CID 103770508
3-(2,3-dimethylphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61394030
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119608882
N-[(2-chlorophenyl)methyl]-3-(2,3-dimethylphenoxy)propanamide
CID 31885031
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
3-(2-methylphenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9308609
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide (CID 51092705) is 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide is Cc1cccc(OCCC(=O)NCCNc2cnccn2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide?
The InChIKey is ZBOLTGKPGUSUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-4-3-5-15(14(13)2)23-11-6-17(22)21-10-9-20-16-12-18-7-8-19-16/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide?
3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 51092705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).