N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide

C14H20N2O2 — CID 41312150

IUPACN'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)N[C@@H](C)CC)cc1
InChIInChI=1S/C14H20N2O2/c1-4-10(3)15-13(17)14(18)16-12-8-6-11(5-2)7-9-12/h6-10H,4-5H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyINWDFWMBVROYJY-JTQLQIEISA-N
MW248.33 g/mol
LogP2.10
Rot. Bonds4

About N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide

N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide (PubChem CID 41312150) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
PubChem CID41312150
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)N[C@@H](C)CC)cc1
InChIInChI=1S/C14H20N2O2/c1-4-10(3)15-13(17)14(18)16-12-8-6-11(5-2)7-9-12/h6-10H,4-5H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyINWDFWMBVROYJY-JTQLQIEISA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
CID 45001357
N'-butan-2-yl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998922
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
1-butan-2-yl-3-(4-ethylphenyl)thiourea
CID 19652039
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109051525
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
CID 109013160
5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide?
The IUPAC name of N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide (CID 41312150) is N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide.
What is the SMILES notation for N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide?
The canonical SMILES for N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)N[C@@H](C)CC)cc1.
What is the InChIKey of N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide?
The InChIKey is INWDFWMBVROYJY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-10(3)15-13(17)14(18)16-12-8-6-11(5-2)7-9-12/h6-10H,4-5H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide?
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide has a molecular weight of 248.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide is sourced from PubChem (CID 41312150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).