2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide

C19H32N2O2 — CID 45483233

IUPAC2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide
SMILESCCCCCCCCc1ccc(CNC(=O)C(N)CCO)cc1
InChIInChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)15-21-19(23)18(20)13-14-22/h9-12,18,22H,2-8,13-15,20H2,1H3,(H,21,23)
InChIKeyJPAAPSOIRSHBDT-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.92
Rot. Bonds12

About 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide

2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide (PubChem CID 45483233) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide
PubChem CID45483233
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide
SMILESCCCCCCCCc1ccc(CNC(=O)C(N)CCO)cc1
InChIInChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)15-21-19(23)18(20)13-14-22/h9-12,18,22H,2-8,13-15,20H2,1H3,(H,21,23)
InChIKeyJPAAPSOIRSHBDT-UHFFFAOYSA-N
XLogP2.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.92
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 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide?
The IUPAC name of 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide (CID 45483233) is 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide is CCCCCCCCc1ccc(CNC(=O)C(N)CCO)cc1.
What is the InChIKey of 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide?
The InChIKey is JPAAPSOIRSHBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)15-21-19(23)18(20)13-14-22/h9-12,18,22H,2-8,13-15,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide?
2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide has a molecular weight of 320.48 g/mol, XLogP of 2.92, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-N-[(4-octylphenyl)methyl]butanamide is sourced from PubChem (CID 45483233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).