N-butyl-N'-[(3-methylphenyl)methyl]oxamide

C14H20N2O2 — CID 108983947

IUPACN-butyl-N'-[(3-methylphenyl)methyl]oxamide
SMILESCCCCNC(=O)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-3-4-8-15-13(17)14(18)16-10-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJWMGKAUQKFYNOJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds5

About N-butyl-N'-[(3-methylphenyl)methyl]oxamide

N-butyl-N'-[(3-methylphenyl)methyl]oxamide (PubChem CID 108983947) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-butyl-N'-[(3-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[(3-methylphenyl)methyl]oxamide
PubChem CID108983947
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-butyl-N'-[(3-methylphenyl)methyl]oxamide
SMILESCCCCNC(=O)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C14H20N2O2/c1-3-4-8-15-13(17)14(18)16-10-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJWMGKAUQKFYNOJ-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2174276
N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
CID 2901283
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-[(3-methylphenyl)methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108984747
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
(3-methylphenyl)methylurea
CID 60776531
N-butyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 86923016
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[(3-methylphenyl)methyl]oxamide?
The IUPAC name of N-butyl-N'-[(3-methylphenyl)methyl]oxamide (CID 108983947) is N-butyl-N'-[(3-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-butyl-N'-[(3-methylphenyl)methyl]oxamide?
The canonical SMILES for N-butyl-N'-[(3-methylphenyl)methyl]oxamide is CCCCNC(=O)C(=O)NCc1cccc(C)c1.
What is the InChIKey of N-butyl-N'-[(3-methylphenyl)methyl]oxamide?
The InChIKey is JWMGKAUQKFYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-8-15-13(17)14(18)16-10-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-butyl-N'-[(3-methylphenyl)methyl]oxamide?
N-butyl-N'-[(3-methylphenyl)methyl]oxamide has a molecular weight of 248.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[(3-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108983947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).