N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide

C16H32N2O3 — CID 46742173

IUPACN'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C16H32N2O3/c1-5-7-9-14(6-2)12-18-16(20)15(19)17-10-8-11-21-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNUPYZGGCXRRCCM-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.25
Rot. Bonds11

About N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide

N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 46742173) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID46742173
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC NameN'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCCCC(CC)CNC(=O)C(=O)NCCCOC(C)C
InChIInChI=1S/C16H32N2O3/c1-5-7-9-14(6-2)12-18-16(20)15(19)17-10-8-11-21-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNUPYZGGCXRRCCM-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.25
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'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide
CID 39358705
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 126147164
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
4-amino-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 120558859

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide (CID 46742173) is N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide is CCCCC(CC)CNC(=O)C(=O)NCCCOC(C)C.
What is the InChIKey of N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is NUPYZGGCXRRCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-7-9-14(6-2)12-18-16(20)15(19)17-10-8-11-21-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide?
N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 300.44 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 46742173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).