N,N'-bis(4-butylphenyl)oxamide

C22H28N2O2 — CID 3438016

IUPACN,N'-bis(4-butylphenyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)Nc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-3-5-7-17-9-13-19(14-10-17)23-21(25)22(26)24-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPDJMNLHLSLMRHF-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.95
Rot. Bonds8

About N,N'-bis(4-butylphenyl)oxamide

N,N'-bis(4-butylphenyl)oxamide (PubChem CID 3438016) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N,N'-bis(4-butylphenyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(4-butylphenyl)oxamide
PubChem CID3438016
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN,N'-bis(4-butylphenyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)Nc2ccc(CCCC)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-3-5-7-17-9-13-19(14-10-17)23-21(25)22(26)24-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPDJMNLHLSLMRHF-UHFFFAOYSA-N
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
(E)-N-(4-butylphenyl)-2-methylpent-2-enamide
CID 142913201
N'-(3-bromophenyl)-N-(4-butylphenyl)oxamide
CID 108502479
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
N'-(4-dodecylphenyl)oxamide
CID 118096540
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
N-(4-butylphenyl)-N'-naphthalen-1-yloxamide
CID 108502463
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108502545
N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2290937

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-butylphenyl)oxamide?
The IUPAC name of N,N'-bis(4-butylphenyl)oxamide (CID 3438016) is N,N'-bis(4-butylphenyl)oxamide.
What is the SMILES notation for N,N'-bis(4-butylphenyl)oxamide?
The canonical SMILES for N,N'-bis(4-butylphenyl)oxamide is CCCCc1ccc(NC(=O)C(=O)Nc2ccc(CCCC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-butylphenyl)oxamide?
The InChIKey is PDJMNLHLSLMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-5-7-17-9-13-19(14-10-17)23-21(25)22(26)24-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(4-butylphenyl)oxamide?
N,N'-bis(4-butylphenyl)oxamide has a molecular weight of 352.48 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-butylphenyl)oxamide is sourced from PubChem (CID 3438016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).