2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide

C14H19N5O2 — CID 114350714

IUPAC2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NCCCn1ccnn1
InChIInChI=1S/C14H19N5O2/c15-13(10-11-2-4-12(20)5-3-11)14(21)16-6-1-8-19-9-7-17-18-19/h2-5,7,9,13,20H,1,6,8,10,15H2,(H,16,21)
InChIKeyWXGNLJZKHFHZFR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.06
Rot. Bonds7

About 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide

2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide (PubChem CID 114350714) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide
PubChem CID114350714
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NCCCn1ccnn1
InChIInChI=1S/C14H19N5O2/c15-13(10-11-2-4-12(20)5-3-11)14(21)16-6-1-8-19-9-7-17-18-19/h2-5,7,9,13,20H,1,6,8,10,15H2,(H,16,21)
InChIKeyWXGNLJZKHFHZFR-UHFFFAOYSA-N
XLogP0.06
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrol-1-ylethyl)propanamide
CID 106391024
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-sulfamoylethyl)propanamide
CID 61154717
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106161295
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide (CID 114350714) is 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide is NC(Cc1ccc(O)cc1)C(=O)NCCCn1ccnn1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide?
The InChIKey is WXGNLJZKHFHZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c15-13(10-11-2-4-12(20)5-3-11)14(21)16-6-1-8-19-9-7-17-18-19/h2-5,7,9,13,20H,1,6,8,10,15H2,(H,16,21).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide?
2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide has a molecular weight of 289.34 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide is sourced from PubChem (CID 114350714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).