N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide

C15H26N2O2 — CID 2291103

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c1-12(2)8-10-16-14(18)15(19)17-11-9-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMRMDFARSQXFMSM-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide (PubChem CID 2291103) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide
PubChem CID2291103
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide
SMILESCC(C)CCNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c1-12(2)8-10-16-14(18)15(19)17-11-9-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMRMDFARSQXFMSM-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-N'-propylethanediamide
CID 2888937
N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
N-cyclobutyl-N'-{[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl}ethanediamide
CID 167714471
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopentyloxamide
CID 2287078
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-cyclohexylethanediamide
CID 2916009
N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3420120
N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 5226821
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-methylpiperidin-4-yl)methyl)oxalamide
CID 16886517
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886602
N1-butyl-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 21212892
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(3-hydroxypropyl)oxalamide
CID 45584862

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide (CID 2291103) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide is CC(C)CCNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide?
The InChIKey is MRMDFARSQXFMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)8-10-16-14(18)15(19)17-11-9-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide has a molecular weight of 266.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)oxamide is sourced from PubChem (CID 2291103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).