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

C18H27NO3 — CID 2548

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
SMILESCOc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
InChIInChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)
InChIKeyYKPUWZUDDOIDPM-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.79
Rot. Bonds9

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

N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide (PubChem CID 2548) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
PubChem CID2548
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
SMILESCOc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
InChIInChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)
InChIKeyYKPUWZUDDOIDPM-UHFFFAOYSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide (CID 2548) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide is COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide?
The InChIKey is YKPUWZUDDOIDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide has a molecular weight of 305.42 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide is sourced from PubChem (CID 2548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).