N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide

C14H20N2O3 — CID 47224753

IUPACN-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCc1cccc(NC(=O)C(=O)NC(CC)CO)c1
InChIInChI=1S/C14H20N2O3/c1-3-10-6-5-7-12(8-10)16-14(19)13(18)15-11(4-2)9-17/h5-8,11,17H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeySTDNPJRBIHUKKH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds5

About N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide

N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide (PubChem CID 47224753) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
PubChem CID47224753
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
SMILESCCc1cccc(NC(=O)C(=O)NC(CC)CO)c1
InChIInChI=1S/C14H20N2O3/c1-3-10-6-5-7-12(8-10)16-14(19)13(18)15-11(4-2)9-17/h5-8,11,17H,3-4,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeySTDNPJRBIHUKKH-UHFFFAOYSA-N
XLogP1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.07
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-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide
CID 111798819
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
CID 51471886
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-nitrophenyl)oxamide
CID 41452846
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N'-(3-ethylphenyl)-N-(2-hydroxy-4-methylpentyl)oxamide
CID 110910480
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
N-(3-ethylphenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695322

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The IUPAC name of N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide (CID 47224753) is N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide.
What is the SMILES notation for N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The canonical SMILES for N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide is CCc1cccc(NC(=O)C(=O)NC(CC)CO)c1.
What is the InChIKey of N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
The InChIKey is STDNPJRBIHUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10-6-5-7-12(8-10)16-14(19)13(18)15-11(4-2)9-17/h5-8,11,17H,3-4,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide?
N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide has a molecular weight of 264.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide is sourced from PubChem (CID 47224753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).