2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide

C27H45NO3 — CID 6439143

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-27(30)23-24-19-20-25(29)26(22-24)31-2/h10-11,19-20,22,29H,3-9,12-18,21,23H2,1-2H3,(H,28,30)/b11-10-
InChIKeyPCZMUTQYZKAXBW-KHPPLWFESA-N
MW431.66 g/mol
LogP7.10
Rot. Bonds19

About 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide

2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide (PubChem CID 6439143) has the molecular formula C27H45NO3 and a molecular weight of 431.66 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide
PubChem CID6439143
Molecular FormulaC27H45NO3
Molecular Weight431.66 g/mol
Exact Mass431.34
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide
SMILESCCCCCCCC/C=C\CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-27(30)23-24-19-20-25(29)26(22-24)31-2/h10-11,19-20,22,29H,3-9,12-18,21,23H2,1-2H3,(H,28,30)/b11-10-
InChIKeyPCZMUTQYZKAXBW-KHPPLWFESA-N
XLogP7.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.66
LogP ≤ 57.10
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide (CID 6439143) is 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide is CCCCCCCC/C=C\CCCCCCCCNC(=O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide?
The InChIKey is PCZMUTQYZKAXBW-KHPPLWFESA-N. The full InChI is InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-27(30)23-24-19-20-25(29)26(22-24)31-2/h10-11,19-20,22,29H,3-9,12-18,21,23H2,1-2H3,(H,28,30)/b11-10-.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide?
2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide has a molecular weight of 431.66 g/mol, XLogP of 7.10, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide is sourced from PubChem (CID 6439143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).