N'-cyclohexyl-N-(2-methoxybutyl)oxamide

C13H24N2O3 — CID 142887799

IUPACN'-cyclohexyl-N-(2-methoxybutyl)oxamide
SMILESCCC(CNC(=O)C(=O)NC1CCCCC1)OC
InChIInChI=1S/C13H24N2O3/c1-3-11(18-2)9-14-12(16)13(17)15-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAOJKPPJRQQYWCS-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds5

About N'-cyclohexyl-N-(2-methoxybutyl)oxamide

N'-cyclohexyl-N-(2-methoxybutyl)oxamide (PubChem CID 142887799) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-cyclohexyl-N-(2-methoxybutyl)oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(2-methoxybutyl)oxamide
PubChem CID142887799
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN'-cyclohexyl-N-(2-methoxybutyl)oxamide
SMILESCCC(CNC(=O)C(=O)NC1CCCCC1)OC
InChIInChI=1S/C13H24N2O3/c1-3-11(18-2)9-14-12(16)13(17)15-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAOJKPPJRQQYWCS-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclobutyl-N-(2,2-dimethoxyethyl)oxamide
CID 166103905
N'-cyclohexyl-N-[(2S)-3-(dimethylamino)-2-methylpropyl]oxamide
CID 7321963
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
N-(2-cyclopentyl-2-hydroxyethyl)-N'-cyclopropyloxamide
CID 111425530
4-(cyclobutylcarbamoylamino)-3-methoxybutanoic acid
CID 103153423
N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601
N'-cyclododecyl-N-(2-hydroxyethyl)oxamide
CID 108517410
N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide
CID 51894478
N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
CID 108517389
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
N-cyclohexyl-2-(2,3-dimethoxypropylamino)acetamide
CID 114099798

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(2-methoxybutyl)oxamide?
The IUPAC name of N'-cyclohexyl-N-(2-methoxybutyl)oxamide (CID 142887799) is N'-cyclohexyl-N-(2-methoxybutyl)oxamide.
What is the SMILES notation for N'-cyclohexyl-N-(2-methoxybutyl)oxamide?
The canonical SMILES for N'-cyclohexyl-N-(2-methoxybutyl)oxamide is CCC(CNC(=O)C(=O)NC1CCCCC1)OC.
What is the InChIKey of N'-cyclohexyl-N-(2-methoxybutyl)oxamide?
The InChIKey is AOJKPPJRQQYWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-11(18-2)9-14-12(16)13(17)15-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-cyclohexyl-N-(2-methoxybutyl)oxamide?
N'-cyclohexyl-N-(2-methoxybutyl)oxamide has a molecular weight of 256.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(2-methoxybutyl)oxamide is sourced from PubChem (CID 142887799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).