N'-butyl-N-(3-methylphenyl)-N'-propyloxamide

C16H24N2O2 — CID 108515660

IUPACN'-butyl-N-(3-methylphenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-4-6-11-18(10-5-2)16(20)15(19)17-14-9-7-8-13(3)12-14/h7-9,12H,4-6,10-11H2,1-3H3,(H,17,19)
InChIKeyVNNBPRHRUHWHME-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.97
Rot. Bonds6

About N'-butyl-N-(3-methylphenyl)-N'-propyloxamide

N'-butyl-N-(3-methylphenyl)-N'-propyloxamide (PubChem CID 108515660) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-butyl-N-(3-methylphenyl)-N'-propyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(3-methylphenyl)-N'-propyloxamide
PubChem CID108515660
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-butyl-N-(3-methylphenyl)-N'-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-4-6-11-18(10-5-2)16(20)15(19)17-14-9-7-8-13(3)12-14/h7-9,12H,4-6,10-11H2,1-3H3,(H,17,19)
InChIKeyVNNBPRHRUHWHME-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-N',N'-dipropyloxamide
CID 47335979
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
N'-butyl-N-(4-iodophenyl)-N'-propyloxamide
CID 108521621
N'-butyl-N-(2,3-dimethylphenyl)-N'-propyloxamide
CID 108515302
N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121343
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
N'-butyl-N-[4-(diethylamino)phenyl]-N'-propyloxamide
CID 108521591
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
N'-butyl-N-(4-cyanophenyl)-N'-propyloxamide
CID 108519413
N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
CID 108524625

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(3-methylphenyl)-N'-propyloxamide?
The IUPAC name of N'-butyl-N-(3-methylphenyl)-N'-propyloxamide (CID 108515660) is N'-butyl-N-(3-methylphenyl)-N'-propyloxamide.
What is the SMILES notation for N'-butyl-N-(3-methylphenyl)-N'-propyloxamide?
The canonical SMILES for N'-butyl-N-(3-methylphenyl)-N'-propyloxamide is CCCCN(CCC)C(=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N'-butyl-N-(3-methylphenyl)-N'-propyloxamide?
The InChIKey is VNNBPRHRUHWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-6-11-18(10-5-2)16(20)15(19)17-14-9-7-8-13(3)12-14/h7-9,12H,4-6,10-11H2,1-3H3,(H,17,19).
What are the key properties of N'-butyl-N-(3-methylphenyl)-N'-propyloxamide?
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide has a molecular weight of 276.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(3-methylphenyl)-N'-propyloxamide is sourced from PubChem (CID 108515660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).