N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide

C28H38N2O3 — CID 11503325

IUPACN'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
SMILESCCCCCCCCCCCCOc1ccc(/C=C/c2ccc(NC(=O)C(N)=O)cc2)cc1
InChIInChI=1S/C28H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-22-33-26-20-16-24(17-21-26)13-12-23-14-18-25(19-15-23)30-28(32)27(29)31/h12-21H,2-11,22H2,1H3,(H2,29,31)(H,30,32)/b13-12+
InChIKeyWDRIMDSTOUIJCB-OUKQBFOZSA-N
MW450.62 g/mol
LogP6.58
Rot. Bonds15

About N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide

N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide (PubChem CID 11503325) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
PubChem CID11503325
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC NameN'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide
SMILESCCCCCCCCCCCCOc1ccc(/C=C/c2ccc(NC(=O)C(N)=O)cc2)cc1
InChIInChI=1S/C28H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-22-33-26-20-16-24(17-21-26)13-12-23-14-18-25(19-15-23)30-28(32)27(29)31/h12-21H,2-11,22H2,1H3,(H2,29,31)(H,30,32)/b13-12+
InChIKeyWDRIMDSTOUIJCB-OUKQBFOZSA-N
XLogP6.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 56.58
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
methyl 3-(4-hexoxyphenyl)prop-2-enoate
CID 54420743
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
CID 20872766
N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
CID 169466608
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
3-(4-decoxyphenyl)prop-2-enoic acid
CID 3472198
N-(4-decoxyphenyl)butanamide
CID 143303175
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
hexyl 4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19173123

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide?
The IUPAC name of N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide (CID 11503325) is N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide.
What is the SMILES notation for N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide?
The canonical SMILES for N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide is CCCCCCCCCCCCOc1ccc(/C=C/c2ccc(NC(=O)C(N)=O)cc2)cc1.
What is the InChIKey of N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide?
The InChIKey is WDRIMDSTOUIJCB-OUKQBFOZSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-22-33-26-20-16-24(17-21-26)13-12-23-14-18-25(19-15-23)30-28(32)27(29)31/h12-21H,2-11,22H2,1H3,(H2,29,31)(H,30,32)/b13-12+.
What are the key properties of N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide?
N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide has a molecular weight of 450.62 g/mol, XLogP of 6.58, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]oxamide is sourced from PubChem (CID 11503325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).