N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide

C14H28N2O3 — CID 39358705

IUPACN'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide
SMILESCCCC[C@H](CC)CNC(=O)C(=O)NCCCOC
InChIInChI=1S/C14H28N2O3/c1-4-6-8-12(5-2)11-16-14(18)13(17)15-9-7-10-19-3/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyRKPZGIXQZFSXDT-LBPRGKRZSA-N
MW272.39 g/mol
LogP1.47
Rot. Bonds10

About N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide

N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide (PubChem CID 39358705) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide
PubChem CID39358705
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide
SMILESCCCC[C@H](CC)CNC(=O)C(=O)NCCCOC
InChIInChI=1S/C14H28N2O3/c1-4-6-8-12(5-2)11-16-14(18)13(17)15-9-7-10-19-3/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18)/t12-/m0/s1
InChIKeyRKPZGIXQZFSXDT-LBPRGKRZSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 46742173
2-ethylhexyl N-(2-methoxyethyl)carbamate
CID 18954420
1-[3-(2-methoxyethoxy)propyl]-3-(2-pentadecylheptadecyl)urea
CID 118244342
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
2-[[(2-ethylhexylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110941869
2-ethylhexyl 2-amino-5-methoxypentanoate
CID 81086073
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
CID 4272614

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide (CID 39358705) is N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide is CCCC[C@H](CC)CNC(=O)C(=O)NCCCOC.
What is the InChIKey of N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide?
The InChIKey is RKPZGIXQZFSXDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-6-8-12(5-2)11-16-14(18)13(17)15-9-7-10-19-3/h12H,4-11H2,1-3H3,(H,15,17)(H,16,18)/t12-/m0/s1.
What are the key properties of N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide?
N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide has a molecular weight of 272.39 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 39358705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).