N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate

C17H26NO5- — CID 20976476

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
SMILESCC(=O)[O-].CCCCCCC(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C15H23NO3.C2H4O2/c1-3-4-5-6-7-15(18)16-11-12-8-9-13(17)14(10-12)19-2;1-2(3)4/h8-10,17H,3-7,11H2,1-2H3,(H,16,18);1H3,(H,3,4)/p-1
InChIKeyMCFQAYZILACQHT-UHFFFAOYSA-M
MW324.40 g/mol
LogP1.74
Rot. Bonds8

About N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate

N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate (PubChem CID 20976476) has the molecular formula C17H26NO5- and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
PubChem CID20976476
Molecular FormulaC17H26NO5-
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
SMILESCC(=O)[O-].CCCCCCC(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C15H23NO3.C2H4O2/c1-3-4-5-6-7-15(18)16-11-12-8-9-13(17)14(10-12)19-2;1-2(3)4/h8-10,17H,3-7,11H2,1-2H3,(H,16,18);1H3,(H,3,4)/p-1
InChIKeyMCFQAYZILACQHT-UHFFFAOYSA-M
XLogP1.74
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate
CID 68817622
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
CID 3032050
N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-ynamide
CID 156856948
N-[(4-hydroxy-3-methoxyphenyl)methyl]oct-6-ynamide
CID 156856949
N-[(3-methoxy-4-trimethylsilyloxyphenyl)methyl]nonanamide
CID 610544
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 68814449
ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
CID 174965538
[2-acetyloxy-4-[(octanoylamino)methyl]phenyl] acetate
CID 163214286
N-[(4-hydroxy-3-methylsulfanylphenyl)methyl]nonanamide
CID 14392586
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
CID 162817846
N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide
CID 67659751

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate (CID 20976476) is N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate is CC(=O)[O-].CCCCCCC(=O)NCc1ccc(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate?
The InChIKey is MCFQAYZILACQHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H23NO3.C2H4O2/c1-3-4-5-6-7-15(18)16-11-12-8-9-13(17)14(10-12)19-2;1-2(3)4/h8-10,17H,3-7,11H2,1-2H3,(H,16,18);1H3,(H,3,4)/p-1.
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate?
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate has a molecular weight of 324.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate is sourced from PubChem (CID 20976476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).