N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide

C14H20N2O5 — CID 18983780

IUPACN-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide
SMILESCCCCCCNC(=O)C(=O)Nc1cc(O)c(O)c(O)c1
InChIInChI=1S/C14H20N2O5/c1-2-3-4-5-6-15-13(20)14(21)16-9-7-10(17)12(19)11(18)8-9/h7-8,17-19H,2-6H2,1H3,(H,15,20)(H,16,21)
InChIKeyRZJBICOEBMBUPE-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.44
Rot. Bonds6

About N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide

N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide (PubChem CID 18983780) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide.

Molecular Properties

Compound NameN-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide
PubChem CID18983780
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide
SMILESCCCCCCNC(=O)C(=O)Nc1cc(O)c(O)c(O)c1
InChIInChI=1S/C14H20N2O5/c1-2-3-4-5-6-15-13(20)14(21)16-9-7-10(17)12(19)11(18)8-9/h7-8,17-19H,2-6H2,1H3,(H,15,20)(H,16,21)
InChIKeyRZJBICOEBMBUPE-UHFFFAOYSA-N
XLogP1.44
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N,N'-diheptyloxamide
CID 3417538
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446
octyl N-(3,4,5-trihydroxyphenyl)carbamate
CID 11044693
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N-octyl-N'-[4-[[4-(2-oxopropanoylamino)phenyl]methyl]phenyl]oxamide
CID 135298855
N-butyl-N'-phenyloxamide
CID 2290889

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide?
The IUPAC name of N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide (CID 18983780) is N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide.
What is the SMILES notation for N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide?
The canonical SMILES for N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide is CCCCCCNC(=O)C(=O)Nc1cc(O)c(O)c(O)c1.
What is the InChIKey of N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide?
The InChIKey is RZJBICOEBMBUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-2-3-4-5-6-15-13(20)14(21)16-9-7-10(17)12(19)11(18)8-9/h7-8,17-19H,2-6H2,1H3,(H,15,20)(H,16,21).
What are the key properties of N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide?
N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide has a molecular weight of 296.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide is sourced from PubChem (CID 18983780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).