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

C13H22N2O3 — CID 51896699

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide
SMILESC[C@@H](O)CNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H22N2O3/c1-10(16)9-15-13(18)12(17)14-8-7-11-5-3-2-4-6-11/h5,10,16H,2-4,6-9H2,1H3,(H,14,17)(H,15,18)/t10-/m1/s1
InChIKeyNXRWGQJGCOBUNZ-SNVBAGLBSA-N
MW254.33 g/mol
LogP0.49
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide (PubChem CID 51896699) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide
PubChem CID51896699
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide
SMILESC[C@@H](O)CNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H22N2O3/c1-10(16)9-15-13(18)12(17)14-8-7-11-5-3-2-4-6-11/h5,10,16H,2-4,6-9H2,1H3,(H,14,17)(H,15,18)/t10-/m1/s1
InChIKeyNXRWGQJGCOBUNZ-SNVBAGLBSA-N
XLogP0.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide (CID 51896699) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide is C[C@@H](O)CNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide?
The InChIKey is NXRWGQJGCOBUNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(16)9-15-13(18)12(17)14-8-7-11-5-3-2-4-6-11/h5,10,16H,2-4,6-9H2,1H3,(H,14,17)(H,15,18)/t10-/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide has a molecular weight of 254.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide is sourced from PubChem (CID 51896699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).