2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide

C14H18N2O2 — CID 60879566

IUPAC2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccccc1C(C)N
InChIInChI=1S/C14H18N2O2/c1-4-9-16-14(17)11(3)18-13-8-6-5-7-12(13)10(2)15/h1,5-8,10-11H,9,15H2,2-3H3,(H,16,17)
InChIKeyGPDAIYPNEUUSTF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide

2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide (PubChem CID 60879566) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
PubChem CID60879566
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccccc1C(C)N
InChIInChI=1S/C14H18N2O2/c1-4-9-16-14(17)11(3)18-13-8-6-5-7-12(13)10(2)15/h1,5-8,10-11H,9,15H2,2-3H3,(H,16,17)
InChIKeyGPDAIYPNEUUSTF-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 63368172
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990
methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
CID 63367072
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
CID 78931758
2-fluoro-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 107013925
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60883292
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 114322096
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
N-ethyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 55189875
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl] 2,2-diphenylacetate
CID 30535420
3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxythiophene-2-carboxylic acid
CID 55200795

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide (CID 60879566) is 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccccc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide?
The InChIKey is GPDAIYPNEUUSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9-16-14(17)11(3)18-13-8-6-5-7-12(13)10(2)15/h1,5-8,10-11H,9,15H2,2-3H3,(H,16,17).
What are the key properties of 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide?
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 60879566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).