N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide

C14H24N2O2 — CID 21212892

IUPACN-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O2/c1-2-3-10-15-13(17)14(18)16-11-9-12-7-5-4-6-8-12/h7H,2-6,8-11H2,1H3,(H,15,17)(H,16,18)
InChIKeySPXPDERNUYVOPH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.91
Rot. Bonds6

About N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide

N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide (PubChem CID 21212892) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide
PubChem CID21212892
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O2/c1-2-3-10-15-13(17)14(18)16-11-9-12-7-5-4-6-8-12/h7H,2-6,8-11H2,1H3,(H,15,17)(H,16,18)
InChIKeySPXPDERNUYVOPH-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.91
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide?
The IUPAC name of N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide (CID 21212892) is N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide.
What is the SMILES notation for N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide?
The canonical SMILES for N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide is CCCCNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide?
The InChIKey is SPXPDERNUYVOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-3-10-15-13(17)14(18)16-11-9-12-7-5-4-6-8-12/h7H,2-6,8-11H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide?
N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide has a molecular weight of 252.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[2-(cyclohexen-1-yl)ethyl]oxamide is sourced from PubChem (CID 21212892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).