N'-(4-butylphenyl)-N-pentyloxamide

C17H26N2O2 — CID 108502416

IUPACN'-(4-butylphenyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1
InChIInChI=1S/C17H26N2O2/c1-3-5-7-13-18-16(20)17(21)19-15-11-9-14(10-12-15)8-6-4-2/h9-12H,3-8,13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDNEWEDRPXQVORO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.27
Rot. Bonds8

About N'-(4-butylphenyl)-N-pentyloxamide

N'-(4-butylphenyl)-N-pentyloxamide (PubChem CID 108502416) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-(4-butylphenyl)-N-pentyloxamide.

Molecular Properties

Compound NameN'-(4-butylphenyl)-N-pentyloxamide
PubChem CID108502416
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN'-(4-butylphenyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1
InChIInChI=1S/C17H26N2O2/c1-3-5-7-13-18-16(20)17(21)19-15-11-9-14(10-12-15)8-6-4-2/h9-12H,3-8,13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDNEWEDRPXQVORO-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-octyl-N'-[4-[[4-(2-oxopropanoylamino)phenyl]methyl]phenyl]oxamide
CID 135298855
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N-butyl-N'-phenyloxamide
CID 2290889
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
N'-(4-dodecylphenyl)oxamide
CID 118096540

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylphenyl)-N-pentyloxamide?
The IUPAC name of N'-(4-butylphenyl)-N-pentyloxamide (CID 108502416) is N'-(4-butylphenyl)-N-pentyloxamide.
What is the SMILES notation for N'-(4-butylphenyl)-N-pentyloxamide?
The canonical SMILES for N'-(4-butylphenyl)-N-pentyloxamide is CCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1.
What is the InChIKey of N'-(4-butylphenyl)-N-pentyloxamide?
The InChIKey is DNEWEDRPXQVORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-5-7-13-18-16(20)17(21)19-15-11-9-14(10-12-15)8-6-4-2/h9-12H,3-8,13H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-butylphenyl)-N-pentyloxamide?
N'-(4-butylphenyl)-N-pentyloxamide has a molecular weight of 290.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylphenyl)-N-pentyloxamide is sourced from PubChem (CID 108502416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).