2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C23H45NO8 — CID 170008061

IUPAC2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCCC(C)C(=O)COCCOCCOCCOCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C23H45NO8/c1-5-6-21(4)22(25)19-32-18-17-31-16-15-30-14-13-29-12-11-28-10-9-27-8-7-24-23(26)20(2)3/h20-21H,5-19H2,1-4H3,(H,24,26)
InChIKeyGTYLBRTUYMQCIZ-UHFFFAOYSA-N
MW463.61 g/mol
LogP1.86
Rot. Bonds24

About 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 170008061) has the molecular formula C23H45NO8 and a molecular weight of 463.61 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID170008061
Molecular FormulaC23H45NO8
Molecular Weight463.61 g/mol
Exact Mass463.31
IUPAC Name2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCCC(C)C(=O)COCCOCCOCCOCCOCCOCCNC(=O)C(C)C
InChIInChI=1S/C23H45NO8/c1-5-6-21(4)22(25)19-32-18-17-31-16-15-30-14-13-29-12-11-28-10-9-27-8-7-24-23(26)20(2)3/h20-21H,5-19H2,1-4H3,(H,24,26)
InChIKeyGTYLBRTUYMQCIZ-UHFFFAOYSA-N
XLogP1.86
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methylpentanoylamino)ethoxy]ethoxy]acetic acid
CID 165351114
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 163401188
2-methyl-N-[2-[2-[2-[2-[2-(5-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167576629
N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 155402187
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
2-amino-3-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]butanamide
CID 58663980
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-[2-[2-[2-(2-hydrazinylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropanamide
CID 156530272
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methylpropanamide
CID 110425032
2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 170008061) is 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCCC(C)C(=O)COCCOCCOCCOCCOCCOCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is GTYLBRTUYMQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO8/c1-5-6-21(4)22(25)19-32-18-17-31-16-15-30-14-13-29-12-11-28-10-9-27-8-7-24-23(26)20(2)3/h20-21H,5-19H2,1-4H3,(H,24,26).
What are the key properties of 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 463.61 g/mol, XLogP of 1.86, 24 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[2-[2-[2-(3-methyl-2-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 170008061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).