(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide

C17H25NO3 — CID 6442577

IUPAC(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide
SMILESCOc1cc(CNC(=O)CCC/C=C/C(C)C)ccc1O
InChIInChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)/b7-5+
InChIKeyUTNZMGHHFHHIAY-FNORWQNLSA-N
MW291.39 g/mol
LogP3.40
Rot. Bonds8

About (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide (PubChem CID 6442577) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide.

Molecular Properties

Compound Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide
PubChem CID6442577
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide
SMILESCOc1cc(CNC(=O)CCC/C=C/C(C)C)ccc1O
InChIInChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)/b7-5+
InChIKeyUTNZMGHHFHHIAY-FNORWQNLSA-N
XLogP3.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.40
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 (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide?
The IUPAC name of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide (CID 6442577) is (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide.
What is the SMILES notation for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide?
The canonical SMILES for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide is COc1cc(CNC(=O)CCC/C=C/C(C)C)ccc1O.
What is the InChIKey of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide?
The InChIKey is UTNZMGHHFHHIAY-FNORWQNLSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)/b7-5+.
What are the key properties of (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide?
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide has a molecular weight of 291.39 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide is sourced from PubChem (CID 6442577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).