N-[(5-amino-2-hydroxyphenyl)methyl]octanamide

C15H24N2O2 — CID 43548602

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-15(19)17-11-12-10-13(16)8-9-14(12)18/h8-10,18H,2-7,11,16H2,1H3,(H,17,19)
InChIKeyXVIFFCNVPRIBJG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.95
Rot. Bonds8

About N-[(5-amino-2-hydroxyphenyl)methyl]octanamide

N-[(5-amino-2-hydroxyphenyl)methyl]octanamide (PubChem CID 43548602) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]octanamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]octanamide
PubChem CID43548602
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]octanamide
SMILESCCCCCCCC(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-15(19)17-11-12-10-13(16)8-9-14(12)18/h8-10,18H,2-7,11,16H2,1H3,(H,17,19)
InChIKeyXVIFFCNVPRIBJG-UHFFFAOYSA-N
XLogP2.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(5-amino-2-hydroxyphenyl)methyl]-2-propylpentanamide
CID 82985461
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(2,4,5-trimethylphenyl)methyl]tetradecanamide
CID 4525427
N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide
CID 14392586
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 43548608

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]octanamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]octanamide (CID 43548602) is N-[(5-amino-2-hydroxyphenyl)methyl]octanamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]octanamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]octanamide is CCCCCCCC(=O)NCc1cc(N)ccc1O.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]octanamide?
The InChIKey is XVIFFCNVPRIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-6-7-15(19)17-11-12-10-13(16)8-9-14(12)18/h8-10,18H,2-7,11,16H2,1H3,(H,17,19).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]octanamide?
N-[(5-amino-2-hydroxyphenyl)methyl]octanamide has a molecular weight of 264.37 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]octanamide is sourced from PubChem (CID 43548602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).