N-butyl-N'-phenyloxamide

C12H16N2O2 — CID 2290889

IUPACN-butyl-N'-phenyloxamide
SMILESCCCCNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-2-3-9-13-11(15)12(16)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,15)(H,14,16)
InChIKeyMRHKKYHZHICHIC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.54
Rot. Bonds4

About N-butyl-N'-phenyloxamide

N-butyl-N'-phenyloxamide (PubChem CID 2290889) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-butyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-butyl-N'-phenyloxamide
PubChem CID2290889
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-butyl-N'-phenyloxamide
SMILESCCCCNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O2/c1-2-3-9-13-11(15)12(16)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,15)(H,14,16)
InChIKeyMRHKKYHZHICHIC-UHFFFAOYSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.54
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'-phenyl-N-propyloxamide
CID 2291438
N-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N-butyl-N'-(2-hydroxyphenyl)oxamide
CID 108505091
2-(butylaminomethyl)-N-phenylprop-2-enamide
CID 10376659
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
1-dodecyl-3-phenylurea
CID 3697946
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-phenyloxamide?
The IUPAC name of N-butyl-N'-phenyloxamide (CID 2290889) is N-butyl-N'-phenyloxamide.
What is the SMILES notation for N-butyl-N'-phenyloxamide?
The canonical SMILES for N-butyl-N'-phenyloxamide is CCCCNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-butyl-N'-phenyloxamide?
The InChIKey is MRHKKYHZHICHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-9-13-11(15)12(16)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-butyl-N'-phenyloxamide?
N-butyl-N'-phenyloxamide has a molecular weight of 220.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-phenyloxamide is sourced from PubChem (CID 2290889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).