2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride

C14H19ClN2O2 — CID 118158118

IUPAC2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride
SMILESCC#CCOc1ccc(CC(N)C(=O)NC)cc1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-4-9-18-12-7-5-11(6-8-12)10-13(15)14(17)16-2;/h5-8,13H,9-10,15H2,1-2H3,(H,16,17);1H
InChIKeyOBGDAARZUKKBRC-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.13
Rot. Bonds5

About 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride

2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride (PubChem CID 118158118) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride
PubChem CID118158118
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride
SMILESCC#CCOc1ccc(CC(N)C(=O)NC)cc1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-4-9-18-12-7-5-11(6-8-12)10-13(15)14(17)16-2;/h5-8,13H,9-10,15H2,1-2H3,(H,16,17);1H
InChIKeyOBGDAARZUKKBRC-UHFFFAOYSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.13
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

methyl 2-amino-3-(4-but-2-ynoxyphenyl)propanoate;hydrochloride
CID 67118244
2-amino-3-(4-but-2-ynoxyphenyl)-N-propoxypropanamide
CID 118157580
methyl (5S)-5-amino-6-(4-but-2-ynoxyphenyl)-4-oxohexanoate
CID 159617986
(2-methoxy-2-oxoethyl) (2S)-2-amino-3-(4-but-2-ynoxyphenyl)propanoate
CID 90060076
methyl (3S)-3-amino-4-(4-but-2-ynoxyphenyl)butanoate
CID 140702267
(2S)-2-amino-3-(4-but-2-ynoxyphenyl)propanal;methoxymethane
CID 144573581
methyl 2-amino-3-(4-prop-2-ynoxyphenyl)propanoate
CID 61299171
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478
tert-butyl N-[(2S)-1-amino-3-(4-but-2-ynoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 118260243
(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide
CID 104861124
(2S)-2-amino-3-(4-butoxyphenyl)-N-hydroxypropanamide
CID 87750253
1-O-[4-[2-amino-3-(methylamino)-3-oxopropyl]phenyl] 4-O-methyl 2-methylidenebutanedioate
CID 156733640

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride (CID 118158118) is 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride is CC#CCOc1ccc(CC(N)C(=O)NC)cc1.Cl.
What is the InChIKey of 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride?
The InChIKey is OBGDAARZUKKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-3-4-9-18-12-7-5-11(6-8-12)10-13(15)14(17)16-2;/h5-8,13H,9-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride?
2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-but-2-ynoxyphenyl)-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 118158118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).