3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen

C17H37NO5 — CID 167520128

IUPAC3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen
SMILESCCC(C)C(=O)COCCOCCOCCOCCNC(C)C.[H][H]
InChIInChI=1S/C17H35NO5.H2/c1-5-16(4)17(19)14-23-13-12-22-11-10-21-9-8-20-7-6-18-15(2)3;/h15-16,18H,5-14H2,1-4H3;1H
InChIKeyAQICKUQLGLMRKV-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.91
Rot. Bonds17

About 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen

3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen (PubChem CID 167520128) has the molecular formula C17H37NO5 and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen
PubChem CID167520128
Molecular FormulaC17H37NO5
Molecular Weight335.49 g/mol
Exact Mass335.27
IUPAC Name3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen
SMILESCCC(C)C(=O)COCCOCCOCCOCCNC(C)C.[H][H]
InChIInChI=1S/C17H35NO5.H2/c1-5-16(4)17(19)14-23-13-12-22-11-10-21-9-8-20-7-6-18-15(2)3;/h15-16,18H,5-14H2,1-4H3;1H
InChIKeyAQICKUQLGLMRKV-UHFFFAOYSA-N
XLogP1.91
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.91
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-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-2-one;molecular hydrogen
CID 142523138
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
3-ethylsulfanyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 146521568
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188
4-methyl-6-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]hexan-3-one
CID 170056959
molecular hydrogen;2,2,3-trimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]butanamide
CID 156820426
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen?
The IUPAC name of 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen (CID 167520128) is 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen.
What is the SMILES notation for 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen?
The canonical SMILES for 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen is CCC(C)C(=O)COCCOCCOCCOCCNC(C)C.[H][H].
What is the InChIKey of 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen?
The InChIKey is AQICKUQLGLMRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO5.H2/c1-5-16(4)17(19)14-23-13-12-22-11-10-21-9-8-20-7-6-18-15(2)3;/h15-16,18H,5-14H2,1-4H3;1H.
What are the key properties of 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen?
3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen has a molecular weight of 335.49 g/mol, XLogP of 1.91, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen is sourced from PubChem (CID 167520128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).