3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen

C16H33NO6 — CID 164557272

IUPAC3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
SMILESCC(=O)COCCOCCOCCOCCNC(=O)CC(C)C.[H][H]
InChIInChI=1S/C16H31NO6.H2/c1-14(2)12-16(19)17-4-5-20-6-7-21-8-9-22-10-11-23-13-15(3)18;/h14H,4-13H2,1-3H3,(H,17,19);1H
InChIKeyKQDOBCMROXSIJX-UHFFFAOYSA-N
MW335.44 g/mol
LogP1.05
Rot. Bonds16

About 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen

3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen (PubChem CID 164557272) has the molecular formula C16H33NO6 and a molecular weight of 335.44 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
PubChem CID164557272
Molecular FormulaC16H33NO6
Molecular Weight335.44 g/mol
Exact Mass335.23
IUPAC Name3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
SMILESCC(=O)COCCOCCOCCOCCNC(=O)CC(C)C.[H][H]
InChIInChI=1S/C16H31NO6.H2/c1-14(2)12-16(19)17-4-5-20-6-7-21-8-9-22-10-11-23-13-15(3)18;/h14H,4-13H2,1-3H3,(H,17,19);1H
InChIKeyKQDOBCMROXSIJX-UHFFFAOYSA-N
XLogP1.05
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
CID 155077240
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 59533808
2-methyl-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130331562
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen?
The IUPAC name of 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen (CID 164557272) is 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen?
The canonical SMILES for 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen is CC(=O)COCCOCCOCCOCCNC(=O)CC(C)C.[H][H].
What is the InChIKey of 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen?
The InChIKey is KQDOBCMROXSIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO6.H2/c1-14(2)12-16(19)17-4-5-20-6-7-21-8-9-22-10-11-23-13-15(3)18;/h14H,4-13H2,1-3H3,(H,17,19);1H.
What are the key properties of 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen?
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen has a molecular weight of 335.44 g/mol, XLogP of 1.05, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen is sourced from PubChem (CID 164557272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).