3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide

C17H21N3O2 — CID 138049489

IUPAC3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
SMILESCc1ccc(OCCC(=O)NCCc2ncccn2)cc1C
InChIInChI=1S/C17H21N3O2/c1-13-4-5-15(12-14(13)2)22-11-7-17(21)20-10-6-16-18-8-3-9-19-16/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyGHLBTQUEHMVGED-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.22
Rot. Bonds7

About 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide

3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide (PubChem CID 138049489) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
PubChem CID138049489
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
SMILESCc1ccc(OCCC(=O)NCCc2ncccn2)cc1C
InChIInChI=1S/C17H21N3O2/c1-13-4-5-15(12-14(13)2)22-11-7-17(21)20-10-6-16-18-8-3-9-19-16/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,21)
InChIKeyGHLBTQUEHMVGED-UHFFFAOYSA-N
XLogP2.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylphenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115668421
3-[3-(3,4-dimethylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676390
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596
N-[(3-bromophenyl)methyl]-3-(3,4-dimethylphenoxy)propanamide
CID 52570793
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111539418
N-[2-(3,4-dimethylphenoxy)ethyl]-3-naphthalen-1-ylpropanamide
CID 100508850
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
2-[3-(3,4-dimethylphenoxy)propanoylamino]propanoic acid
CID 43355237
1-[(3,4-dimethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108879109
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide (CID 138049489) is 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide is Cc1ccc(OCCC(=O)NCCc2ncccn2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide?
The InChIKey is GHLBTQUEHMVGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-4-5-15(12-14(13)2)22-11-7-17(21)20-10-6-16-18-8-3-9-19-16/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide?
3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide is sourced from PubChem (CID 138049489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).