N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide

C15H26N2O4 — CID 56724240

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
SMILESCOCC(C)(O)CNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O4/c1-15(20,11-21-2)10-17-14(19)13(18)16-9-8-12-6-4-3-5-7-12/h6,20H,3-5,7-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBVHSADBFFRJBJD-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.51
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide (PubChem CID 56724240) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
PubChem CID56724240
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide
SMILESCOCC(C)(O)CNC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O4/c1-15(20,11-21-2)10-17-14(19)13(18)16-9-8-12-6-4-3-5-7-12/h6,20H,3-5,7-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyBVHSADBFFRJBJD-UHFFFAOYSA-N
XLogP0.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(2-hydroxypropyl)oxalamide
CID 45584863
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(3-methoxypropyl)ethanediamide
CID 3126764
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 3226626
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)azanium
CID 7406234
N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 45584866
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-hydroxypropyl]oxamide
CID 51896698
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51896699
2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-N-(3-methoxypropyl)acetamide
CID 54815337
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)acetamide
CID 54815649
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxypropylamino)acetamide
CID 54829231
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683584

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide (CID 56724240) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide is COCC(C)(O)CNC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
The InChIKey is BVHSADBFFRJBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(20,11-21-2)10-17-14(19)13(18)16-9-8-12-6-4-3-5-7-12/h6,20H,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'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide has a molecular weight of 298.38 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-hydroxy-3-methoxy-2-methylpropyl)oxamide is sourced from PubChem (CID 56724240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).