(2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide

C20H34N2O2 — CID 45256207

IUPAC(2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide
SMILESCCCCCCCCc1ccc(NC(=O)[C@@H](N)CCCCO)cc1
InChIInChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)22-20(24)19(21)11-8-9-16-23/h12-15,19,23H,2-11,16,21H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyUKLIXHBQCDTKPU-IBGZPJMESA-N
MW334.50 g/mol
LogP4.02
Rot. Bonds13

About (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide

(2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide (PubChem CID 45256207) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide
PubChem CID45256207
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name(2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide
SMILESCCCCCCCCc1ccc(NC(=O)[C@@H](N)CCCCO)cc1
InChIInChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)22-20(24)19(21)11-8-9-16-23/h12-15,19,23H,2-11,16,21H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyUKLIXHBQCDTKPU-IBGZPJMESA-N
XLogP4.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide (CID 45256207) is (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide is CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCCCO)cc1.
What is the InChIKey of (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide?
The InChIKey is UKLIXHBQCDTKPU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H34N2O2/c1-2-3-4-5-6-7-10-17-12-14-18(15-13-17)22-20(24)19(21)11-8-9-16-23/h12-15,19,23H,2-11,16,21H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide?
(2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide has a molecular weight of 334.50 g/mol, XLogP of 4.02, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-hydroxy-N-(4-octylphenyl)hexanamide is sourced from PubChem (CID 45256207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).