N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide

C13H16N2O2 — CID 64538951

IUPACN-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
SMILESCC(O)C(N)CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(16)12(14)9-15-13(17)8-7-11-5-3-2-4-6-11/h2-6,10,12,16H,9,14H2,1H3,(H,15,17)
InChIKeyFLSLDTISVIPWBS-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.14
Rot. Bonds3

About N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide

N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide (PubChem CID 64538951) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
PubChem CID64538951
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
SMILESCC(O)C(N)CNC(=O)C#Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(16)12(14)9-15-13(17)8-7-11-5-3-2-4-6-11/h2-6,10,12,16H,9,14H2,1H3,(H,15,17)
InChIKeyFLSLDTISVIPWBS-UHFFFAOYSA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
CID 75386334
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
CID 97072671
N-(2-amino-3-hydroxybutyl)-2-methyl-2-phenylpropanamide
CID 64539763
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
6-amino-1-phenylhept-1-yn-3-one
CID 130646180
methyl 3-methyl-2-(3-phenylprop-2-ynoylamino)butanoate
CID 43623176
4-methyl-2-(3-phenylprop-2-ynoylamino)pentanoic acid
CID 24694027
N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide
CID 68945753

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide (CID 64538951) is N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide is CC(O)C(N)CNC(=O)C#Cc1ccccc1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide?
The InChIKey is FLSLDTISVIPWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)12(14)9-15-13(17)8-7-11-5-3-2-4-6-11/h2-6,10,12,16H,9,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide?
N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide has a molecular weight of 232.28 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 64538951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).