N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide

C18H20N2O3 — CID 51973354

IUPACN-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C18H20N2O3/c1-13(10-11-14-6-3-2-4-7-14)19-17(22)18(23)20-15-8-5-9-16(21)12-15/h2-9,12-13,21H,10-11H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyJRUOGQJFBCSWAY-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.47
Rot. Bonds5

About N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide

N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide (PubChem CID 51973354) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
PubChem CID51973354
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C18H20N2O3/c1-13(10-11-14-6-3-2-4-7-14)19-17(22)18(23)20-15-8-5-9-16(21)12-15/h2-9,12-13,21H,10-11H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyJRUOGQJFBCSWAY-ZDUSSCGKSA-N
XLogP2.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.47
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

2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368
N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide
CID 45059559
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170
ethyl 4-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]amino]benzoate
CID 2244064
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51971211
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-hydroxybenzoate
CID 7483706
methyl 3-[[(2R)-4-phenylbutan-2-yl]carbamothioylamino]benzoate
CID 100662478
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide?
The IUPAC name of N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide (CID 51973354) is N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide is C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide?
The InChIKey is JRUOGQJFBCSWAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(10-11-14-6-3-2-4-7-14)19-17(22)18(23)20-15-8-5-9-16(21)12-15/h2-9,12-13,21H,10-11H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide?
N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide has a molecular weight of 312.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide is sourced from PubChem (CID 51973354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).