(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide

C15H25N3O2 — CID 156568497

IUPAC(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide
SMILESCC(Cc1ccccc1O)NC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C15H25N3O2/c1-11(10-12-6-2-3-8-14(12)19)18-15(20)13(17)7-4-5-9-16/h2-3,6,8,11,13,19H,4-5,7,9-10,16-17H2,1H3,(H,18,20)/t11?,13-/m0/s1
InChIKeyWXGDFJXLLLBGGD-YUZLPWPTSA-N
MW279.38 g/mol
LogP0.90
Rot. Bonds8

About (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide

(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide (PubChem CID 156568497) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide
PubChem CID156568497
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide
SMILESCC(Cc1ccccc1O)NC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C15H25N3O2/c1-11(10-12-6-2-3-8-14(12)19)18-15(20)13(17)7-4-5-9-16/h2-3,6,8,11,13,19H,4-5,7,9-10,16-17H2,1H3,(H,18,20)/t11?,13-/m0/s1
InChIKeyWXGDFJXLLLBGGD-YUZLPWPTSA-N
XLogP0.90
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide 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)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2S)-2,6-diamino-N-(1-phenylpropan-2-yl)hexanamide;methanesulfonic acid
CID 169442795
(2R)-2,6-diamino-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]hexanamide
CID 131709054
(2S)-2,6-diamino-N-[(2S)-1-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]hexanamide
CID 25207808
2,5-diaminopentanoic acid;2,5-diamino-N-(1-phenylpropan-2-yl)pentanamide;1-phenylpropan-2-amine
CID 159256589
(2S)-2,6-diamino-N-(2-hydroxyphenyl)hexanamide
CID 172827982
2-[[2-(2,6-diaminohexanoylamino)-3-phenylpropanoyl]amino]propanoic acid
CID 18222554
[(5S)-5-amino-6-oxo-6-[[(2S)-1-phenylpropan-2-yl]amino]hexyl]carbamic acid;methanesulfonic acid
CID 87182742
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
2,6-diamino-1-[2-(2-aminopropyl)phenyl]hexan-1-one
CID 175054462
[(1R)-1-[[(2S)-2,6-diaminohexanoyl]amino]-2-phenylethyl]boronic acid
CID 74765795
[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium
CID 156803632

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide?
The IUPAC name of (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide (CID 156568497) is (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide is CC(Cc1ccccc1O)NC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide?
The InChIKey is WXGDFJXLLLBGGD-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(10-12-6-2-3-8-14(12)19)18-15(20)13(17)7-4-5-9-16/h2-3,6,8,11,13,19H,4-5,7,9-10,16-17H2,1H3,(H,18,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide?
(2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide has a molecular weight of 279.38 g/mol, XLogP of 0.90, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-[1-(2-hydroxyphenyl)propan-2-yl]hexanamide is sourced from PubChem (CID 156568497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).