3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide

C13H18N2O5 — CID 4991796

IUPAC3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
SMILESCOc1cc(OC)cc(OCC(=O)NCCC(N)=O)c1
InChIInChI=1S/C13H18N2O5/c1-18-9-5-10(19-2)7-11(6-9)20-8-13(17)15-4-3-12(14)16/h5-7H,3-4,8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyYXGJXLGJULGMNZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.07
Rot. Bonds8

About 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide

3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide (PubChem CID 4991796) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
PubChem CID4991796
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
SMILESCOc1cc(OC)cc(OCC(=O)NCCC(N)=O)c1
InChIInChI=1S/C13H18N2O5/c1-18-9-5-10(19-2)7-11(6-9)20-8-13(17)15-4-3-12(14)16/h5-7H,3-4,8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyYXGJXLGJULGMNZ-UHFFFAOYSA-N
XLogP0.07
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
2-(3-carbamothioyl-5-methoxyphenoxy)-N-(3-methylbutyl)acetamide
CID 103567236
ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 47437768
2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 103567401
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
CID 3757561
2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide
CID 116820842
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]acetamide;hydrochloride
CID 119344811
4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide?
The IUPAC name of 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide (CID 4991796) is 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide?
The canonical SMILES for 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide is COc1cc(OC)cc(OCC(=O)NCCC(N)=O)c1.
What is the InChIKey of 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide?
The InChIKey is YXGJXLGJULGMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-18-9-5-10(19-2)7-11(6-9)20-8-13(17)15-4-3-12(14)16/h5-7H,3-4,8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide?
3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide has a molecular weight of 282.30 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 4991796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).