3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide

C16H21N3O2 — CID 115668421

IUPAC3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
SMILESCc1ccc(OCCC(=O)NCCc2ncc[nH]2)cc1C
InChIInChI=1S/C16H21N3O2/c1-12-3-4-14(11-13(12)2)21-10-6-16(20)19-7-5-15-17-8-9-18-15/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGBXNNXOTFLKKRP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.15
Rot. Bonds7

About 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide

3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide (PubChem CID 115668421) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
PubChem CID115668421
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
SMILESCc1ccc(OCCC(=O)NCCc2ncc[nH]2)cc1C
InChIInChI=1S/C16H21N3O2/c1-12-3-4-14(11-13(12)2)21-10-6-16(20)19-7-5-15-17-8-9-18-15/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGBXNNXOTFLKKRP-UHFFFAOYSA-N
XLogP2.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138049489
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196
3-[3-(3,4-dimethylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676390
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548351
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514495
6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3,4-dimethylphenoxy)propanamide
CID 47082053
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115668455
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide (CID 115668421) is 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide is Cc1ccc(OCCC(=O)NCCc2ncc[nH]2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
The InChIKey is GBXNNXOTFLKKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-3-4-14(11-13(12)2)21-10-6-16(20)19-7-5-15-17-8-9-18-15/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide?
3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 115668421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).