N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide

C14H20N2O3 — CID 108502974

IUPACN-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O3/c1-2-3-9-15-13(18)14(19)16-10-8-11-4-6-12(17)7-5-11/h4-7,17H,2-3,8-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyZPSGGTKTHWMWNG-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.97
Rot. Bonds6

About N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide

N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108502974) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108502974
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O3/c1-2-3-9-15-13(18)14(19)16-10-8-11-4-6-12(17)7-5-11/h4-7,17H,2-3,8-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyZPSGGTKTHWMWNG-UHFFFAOYSA-N
XLogP0.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
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

N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503020
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-docosyl-N'-[(4-hydroxyphenyl)methyl]oxamide
CID 19597122
N'-[(4-hydroxyphenyl)methyl]-N-triacontyloxamide
CID 139845207
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108502974) is N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide is CCCCNC(=O)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is ZPSGGTKTHWMWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-9-15-13(18)14(19)16-10-8-11-4-6-12(17)7-5-11/h4-7,17H,2-3,8-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide?
N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 264.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108502974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).