N-dodecyl-4-methoxybenzamide

C20H33NO2 — CID 3558529

IUPACN-dodecyl-4-methoxybenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-10-11-12-17-21-20(22)18-13-15-19(23-2)16-14-18/h13-16H,3-12,17H2,1-2H3,(H,21,22)
InChIKeyKVEZPQNBMSQMQU-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.35
Rot. Bonds13

About N-dodecyl-4-methoxybenzamide

N-dodecyl-4-methoxybenzamide (PubChem CID 3558529) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-dodecyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-dodecyl-4-methoxybenzamide
PubChem CID3558529
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-dodecyl-4-methoxybenzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-10-11-12-17-21-20(22)18-13-15-19(23-2)16-14-18/h13-16H,3-12,17H2,1-2H3,(H,21,22)
InChIKeyKVEZPQNBMSQMQU-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dodecyl-4-methoxybenzamide?
The IUPAC name of N-dodecyl-4-methoxybenzamide (CID 3558529) is N-dodecyl-4-methoxybenzamide.
What is the SMILES notation for N-dodecyl-4-methoxybenzamide?
The canonical SMILES for N-dodecyl-4-methoxybenzamide is CCCCCCCCCCCCNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-dodecyl-4-methoxybenzamide?
The InChIKey is KVEZPQNBMSQMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-10-11-12-17-21-20(22)18-13-15-19(23-2)16-14-18/h13-16H,3-12,17H2,1-2H3,(H,21,22).
What are the key properties of N-dodecyl-4-methoxybenzamide?
N-dodecyl-4-methoxybenzamide has a molecular weight of 319.49 g/mol, XLogP of 5.35, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-4-methoxybenzamide is sourced from PubChem (CID 3558529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).