N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide

C12H16N2O3 — CID 45000278

IUPACN'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H16N2O3/c1-8(2)7-13-11(16)12(17)14-9-4-3-5-10(15)6-9/h3-6,8,15H,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyFLYHZMLTMNGDBV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.10
Rot. Bonds3

About N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide

N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide (PubChem CID 45000278) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
PubChem CID45000278
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H16N2O3/c1-8(2)7-13-11(16)12(17)14-9-4-3-5-10(15)6-9/h3-6,8,15H,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyFLYHZMLTMNGDBV-UHFFFAOYSA-N
XLogP1.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51054016
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(3-hydroxyphenyl)oxamide
CID 51971716
N'-(3-hydroxyphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
CID 51974312
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
3-[(3-hydroxyphenyl)carbamoyl]but-3-enoic acid
CID 170337484
N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51973354
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484
N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
CID 110910480
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide (CID 45000278) is N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)Nc1cccc(O)c1.
What is the InChIKey of N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide?
The InChIKey is FLYHZMLTMNGDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)7-13-11(16)12(17)14-9-4-3-5-10(15)6-9/h3-6,8,15H,7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide?
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide has a molecular weight of 236.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 45000278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).