2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide

C13H16N2O3 — CID 94074154

IUPAC2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
SMILESC#CCNCc1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C13H16N2O3/c1-3-6-15-8-10-4-5-11(12(7-10)17-2)18-9-13(14)16/h1,4-5,7,15H,6,8-9H2,2H3,(H2,14,16)
InChIKeyCTXLOQPCVSUVTM-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.28
Rot. Bonds7

About 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide

2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide (PubChem CID 94074154) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
PubChem CID94074154
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
SMILESC#CCNCc1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C13H16N2O3/c1-3-6-15-8-10-4-5-11(12(7-10)17-2)18-9-13(14)16/h1,4-5,7,15H,6,8-9H2,2H3,(H2,14,16)
InChIKeyCTXLOQPCVSUVTM-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60882636
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide (CID 94074154) is 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide is C#CCNCc1ccc(OCC(N)=O)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide?
The InChIKey is CTXLOQPCVSUVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-6-15-8-10-4-5-11(12(7-10)17-2)18-9-13(14)16/h1,4-5,7,15H,6,8-9H2,2H3,(H2,14,16).
What are the key properties of 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide?
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide has a molecular weight of 248.28 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 94074154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).