N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide

C28H40N2O3 — CID 22319935

IUPACN'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)Nc1ccc(CCCCCCCCCC(C)C)cc1
InChIInChI=1S/C28H40N2O3/c1-4-33-26-17-13-12-16-25(26)30-28(32)27(31)29-24-20-18-23(19-21-24)15-11-9-7-5-6-8-10-14-22(2)3/h12-13,16-22H,4-11,14-15H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyPIPJHDJQUXGVNR-UHFFFAOYSA-N
MW452.64 g/mol
LogP6.98
Rot. Bonds14

About N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide

N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide (PubChem CID 22319935) has the molecular formula C28H40N2O3 and a molecular weight of 452.64 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide
PubChem CID22319935
Molecular FormulaC28H40N2O3
Molecular Weight452.64 g/mol
Exact Mass452.30
IUPAC NameN'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)Nc1ccc(CCCCCCCCCC(C)C)cc1
InChIInChI=1S/C28H40N2O3/c1-4-33-26-17-13-12-16-25(26)30-28(32)27(31)29-24-20-18-23(19-21-24)15-11-9-7-5-6-8-10-14-22(2)3/h12-13,16-22H,4-11,14-15H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyPIPJHDJQUXGVNR-UHFFFAOYSA-N
XLogP6.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 56.98
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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Related Compounds

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N-[2-(Benzyloxy)phenyl]acetamide
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N-(4-methylphenyl)-2-phenoxyacetamide
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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide (CID 22319935) is N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide is CCOc1ccccc1NC(=O)C(=O)Nc1ccc(CCCCCCCCCC(C)C)cc1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide?
The InChIKey is PIPJHDJQUXGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O3/c1-4-33-26-17-13-12-16-25(26)30-28(32)27(31)29-24-20-18-23(19-21-24)15-11-9-7-5-6-8-10-14-22(2)3/h12-13,16-22H,4-11,14-15H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide?
N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide has a molecular weight of 452.64 g/mol, XLogP of 6.98, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide is sourced from PubChem (CID 22319935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).