N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide

C25H43NO3 — CID 102235522

IUPACN-[(3,4-dimethoxyphenyl)methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(27)26-21-22-18-19-23(28-2)24(20-22)29-3/h18-20H,4-17,21H2,1-3H3,(H,26,27)
InChIKeyLVPBNUHMEAUHHS-UHFFFAOYSA-N
MW405.62 g/mol
LogP6.80
Rot. Bonds18

About N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide

N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide (PubChem CID 102235522) has the molecular formula C25H43NO3 and a molecular weight of 405.62 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]hexadecanamide
PubChem CID102235522
Molecular FormulaC25H43NO3
Molecular Weight405.62 g/mol
Exact Mass405.32
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(27)26-21-22-18-19-23(28-2)24(20-22)29-3/h18-20H,4-17,21H2,1-3H3,(H,26,27)
InChIKeyLVPBNUHMEAUHHS-UHFFFAOYSA-N
XLogP6.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide (CID 102235522) is N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide?
The InChIKey is LVPBNUHMEAUHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(27)26-21-22-18-19-23(28-2)24(20-22)29-3/h18-20H,4-17,21H2,1-3H3,(H,26,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide?
N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide has a molecular weight of 405.62 g/mol, XLogP of 6.80, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]hexadecanamide is sourced from PubChem (CID 102235522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).