N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide

C14H20N2O2 — CID 17201961

IUPACN'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
SMILESCCC(C)NC(=O)C(=O)NCc1ccccc1C
InChIInChI=1S/C14H20N2O2/c1-4-11(3)16-14(18)13(17)15-9-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBQZWZXIDTSOOPL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds4

About N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide

N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide (PubChem CID 17201961) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
PubChem CID17201961
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
SMILESCCC(C)NC(=O)C(=O)NCc1ccccc1C
InChIInChI=1S/C14H20N2O2/c1-4-11(3)16-14(18)13(17)15-9-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBQZWZXIDTSOOPL-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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

4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039
6-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094588
N-butyl-N'-[(2-methylphenyl)methyl]oxamide
CID 2174476
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
1-(5-methylhexan-2-yl)-3-[(2-methylphenyl)methyl]urea
CID 78833745
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602
2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide
CID 108984475
2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide (CID 17201961) is N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide is CCC(C)NC(=O)C(=O)NCc1ccccc1C.
What is the InChIKey of N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide?
The InChIKey is BQZWZXIDTSOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-11(3)16-14(18)13(17)15-9-12-8-6-5-7-10(12)2/h5-8,11H,4,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide?
N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide has a molecular weight of 248.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 17201961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).