(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide

C17H28N2O2 — CID 106025742

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C17H28N2O2/c1-3-5-7-14(6-4-2)19-17(21)16(18)12-13-8-10-15(20)11-9-13/h8-11,14,16,20H,3-7,12,18H2,1-2H3,(H,19,21)/t14?,16-/m0/s1
InChIKeyUNYJPIFYJDMCPX-WMCAAGNKSA-N
MW292.42 g/mol
LogP2.74
Rot. Bonds9

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide (PubChem CID 106025742) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide
PubChem CID106025742
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C17H28N2O2/c1-3-5-7-14(6-4-2)19-17(21)16(18)12-13-8-10-15(20)11-9-13/h8-11,14,16,20H,3-7,12,18H2,1-2H3,(H,19,21)/t14?,16-/m0/s1
InChIKeyUNYJPIFYJDMCPX-WMCAAGNKSA-N
XLogP2.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 103870708
(2R)-2-(2-aminopentanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 103870745
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
CID 114350775
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
2-amino-N-octan-4-ylbutanediamide
CID 113288677
[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropyl] acetate
CID 42632624

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide (CID 106025742) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide is CCCCC(CCC)NC(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide?
The InChIKey is UNYJPIFYJDMCPX-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-5-7-14(6-4-2)19-17(21)16(18)12-13-8-10-15(20)11-9-13/h8-11,14,16,20H,3-7,12,18H2,1-2H3,(H,19,21)/t14?,16-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide is sourced from PubChem (CID 106025742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).