8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide

C17H25NO4 — CID 162817846

IUPAC8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
SMILESCOc1cc(CNC(=O)CCCCC=CC(C)O)ccc1O
InChIInChI=1S/C17H25NO4/c1-13(19)7-5-3-4-6-8-17(21)18-12-14-9-10-15(20)16(11-14)22-2/h5,7,9-11,13,19-20H,3-4,6,8,12H2,1-2H3,(H,18,21)
InChIKeyHXWCCFFONCLBHK-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.51
Rot. Bonds9

About 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide

8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide (PubChem CID 162817846) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide.

Molecular Properties

Compound Name8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
PubChem CID162817846
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
SMILESCOc1cc(CNC(=O)CCCCC=CC(C)O)ccc1O
InChIInChI=1S/C17H25NO4/c1-13(19)7-5-3-4-6-8-17(21)18-12-14-9-10-15(20)16(11-14)22-2/h5,7,9-11,13,19-20H,3-4,6,8,12H2,1-2H3,(H,18,21)
InChIKeyHXWCCFFONCLBHK-UHFFFAOYSA-N
XLogP2.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-methoxyphenol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
CID 174887976
(E)-8,9,9,9-tetradeuterio-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-(trideuteriomethyl)non-6-enamide
CID 171391573
2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]benzoic acid
CID 141159434
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
(E)-N-[[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-8-methylnon-6-enamide
CID 121355253
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
CID 3032050
ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
CID 174965538
N-[(4-hydroxy-3-methoxyphenyl)methyl]oct-6-ynamide
CID 156856949
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
[2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenoxy]carbonyloxymethyl 2-hydroxypropanoate
CID 130381225
[2-methoxy-4-[[[(Z)-8-methylnon-6-enoyl]amino]methyl]phenoxy]methyl dihydrogen phosphite
CID 145358660
[2-methoxy-4-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenoxy]methyl dihydrogen phosphite
CID 145358657

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide?
The IUPAC name of 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide (CID 162817846) is 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide.
What is the SMILES notation for 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide?
The canonical SMILES for 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide is COc1cc(CNC(=O)CCCCC=CC(C)O)ccc1O.
What is the InChIKey of 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide?
The InChIKey is HXWCCFFONCLBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-13(19)7-5-3-4-6-8-17(21)18-12-14-9-10-15(20)16(11-14)22-2/h5,7,9-11,13,19-20H,3-4,6,8,12H2,1-2H3,(H,18,21).
What are the key properties of 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide?
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide has a molecular weight of 307.39 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide is sourced from PubChem (CID 162817846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).