N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide

C28H40N2O3 — CID 20647578

IUPACN-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide
SMILESCCCCCCCCCCCCc1ccc(NC(=O)C(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C28H40N2O3/c1-3-5-6-7-8-9-10-11-12-13-16-23-19-21-24(22-20-23)29-27(31)28(32)30-25-17-14-15-18-26(25)33-4-2/h14-15,17-22H,3-13,16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyJWLPAGQGWMIDDL-UHFFFAOYSA-N
MW452.64 g/mol
LogP7.13
Rot. Bonds15

About N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide

N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide (PubChem CID 20647578) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide
PubChem CID20647578
Molecular FormulaC28H40N2O3
Molecular Weight452.64 g/mol
Exact Mass452.30
IUPAC NameN-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide
SMILESCCCCCCCCCCCCc1ccc(NC(=O)C(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C28H40N2O3/c1-3-5-6-7-8-9-10-11-12-13-16-23-19-21-24(22-20-23)29-27(31)28(32)30-25-17-14-15-18-26(25)33-4-2/h14-15,17-22H,3-13,16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyJWLPAGQGWMIDDL-UHFFFAOYSA-N
XLogP7.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide?
The IUPAC name of N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide (CID 20647578) is N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide is CCCCCCCCCCCCc1ccc(NC(=O)C(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide?
The InChIKey is JWLPAGQGWMIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O3/c1-3-5-6-7-8-9-10-11-12-13-16-23-19-21-24(22-20-23)29-27(31)28(32)30-25-17-14-15-18-26(25)33-4-2/h14-15,17-22H,3-13,16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide?
N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide has a molecular weight of 452.64 g/mol, XLogP of 7.13, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 20647578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).