N-butyl-N'-(2-hydroxyphenyl)oxamide

C12H16N2O3 — CID 108505091

IUPACN-butyl-N'-(2-hydroxyphenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H16N2O3/c1-2-3-8-13-11(16)12(17)14-9-6-4-5-7-10(9)15/h4-7,15H,2-3,8H2,1H3,(H,13,16)(H,14,17)
InChIKeyBYKQGXDZYFMOCA-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.25
Rot. Bonds4

About N-butyl-N'-(2-hydroxyphenyl)oxamide

N-butyl-N'-(2-hydroxyphenyl)oxamide (PubChem CID 108505091) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-butyl-N'-(2-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(2-hydroxyphenyl)oxamide
PubChem CID108505091
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-butyl-N'-(2-hydroxyphenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccccc1O
InChIInChI=1S/C12H16N2O3/c1-2-3-8-13-11(16)12(17)14-9-6-4-5-7-10(9)15/h4-7,15H,2-3,8H2,1H3,(H,13,16)(H,14,17)
InChIKeyBYKQGXDZYFMOCA-UHFFFAOYSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
N-butyl-N'-phenyloxamide
CID 2290889
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N'-(2-cyanophenyl)-N-pentyloxamide
CID 7541464
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610
1-butyl-3-(2-hydroxyphenyl)-1-methylurea
CID 108871514
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
1-(2-hydroxyphenyl)-3-propylthiourea
CID 127057453
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-hydroxyphenyl)oxamide?
The IUPAC name of N-butyl-N'-(2-hydroxyphenyl)oxamide (CID 108505091) is N-butyl-N'-(2-hydroxyphenyl)oxamide.
What is the SMILES notation for N-butyl-N'-(2-hydroxyphenyl)oxamide?
The canonical SMILES for N-butyl-N'-(2-hydroxyphenyl)oxamide is CCCCNC(=O)C(=O)Nc1ccccc1O.
What is the InChIKey of N-butyl-N'-(2-hydroxyphenyl)oxamide?
The InChIKey is BYKQGXDZYFMOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-3-8-13-11(16)12(17)14-9-6-4-5-7-10(9)15/h4-7,15H,2-3,8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-butyl-N'-(2-hydroxyphenyl)oxamide?
N-butyl-N'-(2-hydroxyphenyl)oxamide has a molecular weight of 236.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-hydroxyphenyl)oxamide is sourced from PubChem (CID 108505091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).