2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide

C14H18N2O3 — CID 61268381

IUPAC2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cc(OC)ccc1CCN
InChIInChI=1S/C14H18N2O3/c1-3-8-16-14(17)10-19-13-9-12(18-2)5-4-11(13)6-7-15/h1,4-5,9H,6-8,10,15H2,2H3,(H,16,17)
InChIKeyWAXVPUOUUMDJLH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.32
Rot. Bonds7

About 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide

2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide (PubChem CID 61268381) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide
PubChem CID61268381
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cc(OC)ccc1CCN
InChIInChI=1S/C14H18N2O3/c1-3-8-16-14(17)10-19-13-9-12(18-2)5-4-11(13)6-7-15/h1,4-5,9H,6-8,10,15H2,2H3,(H,16,17)
InChIKeyWAXVPUOUUMDJLH-UHFFFAOYSA-N
XLogP0.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
CID 60905856
methyl 3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoate
CID 79621787
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 61267401
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017
2-[2-[(cyclopropylamino)methyl]-4-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60877796
3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79621891
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-ynylacetamide
CID 60879263
2-[[6-(aminomethyl)-1,3-benzodioxol-5-yl]oxy]-N-prop-2-ynylacetamide
CID 55012245
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488645
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide (CID 61268381) is 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1cc(OC)ccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide?
The InChIKey is WAXVPUOUUMDJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-8-16-14(17)10-19-13-9-12(18-2)5-4-11(13)6-7-15/h1,4-5,9H,6-8,10,15H2,2H3,(H,16,17).
What are the key properties of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide?
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide has a molecular weight of 262.31 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 61268381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).